2-butan-2-yl-4-[4-[4-[4-[[(2R,4R)-2-(1-oxidanidylpyridin-1-ium-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one

Systemtic Name: 2-butan-2-yl-4-[4-[4-[4-[[(2R,4R)-2-(1-oxidanidylpyridin-1-ium-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one Openeye Name: 4-[4-[4-[4-[[(2R,4R)-2-(1-oxidopyridin-1-ium-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-sec-butyl-1,2,4-triazol-3-one CAS Name: 2-butan-2-yl-4-[4-[4-[4-[[(2R,4R)-2-(1-oxido-2-pyridin-1-iumyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-butan-2-yl-4-[4-[4-[4-[[(2R,4R)-2-(1-oxidopyridin-1-ium-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one Traditional Name: 4-[4-[4-[4-[[(2R,4R)-2-(1-oxidopyridin-1-ium-2-yl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazino]phenyl]-2-sec-butyl-1,2,4-triazol-3-one Formula: C34H39N9O5 MolecularWeight: 653.73076

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=CC=CC=[N+]7[O-]

Isomeric SMILES

CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@@H]5CO[C@@](O5)(CN6C=NC=N6)C7=CC=CC=[N+]7[O-]

InChI

InChI=1S/C34H39N9O5/c1-3-26(2)43-33(44)41(25-37-43)29-9-7-27(8-10-29)38-16-18-39(19-17-38)28-11-13-30(14-12-28)46-20-31-21-47-34(48-31,22-40-24-35-23-36-40)32-6-4-5-15-42(32)45/h4-15,23-26,31H,3,16-22H2,1-2H3/t26?,31-,34-/m1/s1