(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazino)piperidin-1-ium-3-ol Formula: C22H36N6O+2 MolecularWeight: 400.56084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+]2CCC(C(C2)O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2CC[C@H]([C@@H](C2)O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H34N6O/c1-2-3-6-21-24-15-18(25-21)16-26-10-8-19(20(29)17-26)27-11-13-28(14-12-27)22-7-4-5-9-23-22/h4-5,7,9,15,19-20,29H,2-3,6,8,10-14,16-17H2,1H3,(H,24,25)/p+2/t19-,20-/m1/s1