[4-[1-(4-hexoxyphenyl)piperidin-4-yl]-3-oxidanidyl-2-piperazin-1-yl-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[1-(4-hexoxyphenyl)piperidin-4-yl]-3-oxidanidyl-2-piperazin-1-yl-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone Openeye Name: [4-[1-(4-hexoxyphenyl)-4-piperidyl]-3-oxido-2-piperazin-1-yl-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone CAS Name: [4-[1-(4-hexoxyphenyl)-4-piperidinyl]-3-oxido-2-(1-piperazinyl)-3H-benzotriazol-3-ium-1-yl]-phenylmethanone IUPAC Name: [4-[1-(4-hexoxyphenyl)piperidin-4-yl]-3-oxido-2-piperazin-1-yl-3H-benzotriazol-3-ium-1-yl]-phenylmethanone Traditional Name: [4-[1-(4-hexoxyphenyl)-4-piperidyl]-3-oxido-2-piperazino-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone Formula: C34H44N6O3 MolecularWeight: 584.75156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2CCC(CC2)C3=C4C(=CC=C3)N(N([NH+]4[O-])N5CCNCC5)C(=O)C6=CC=CC=C6

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2CCC(CC2)C3=C4C(=CC=C3)N(N([NH+]4[O-])N5CCNCC5)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C34H44N6O3/c1-2-3-4-8-26-43-30-16-14-29(15-17-30)36-22-18-27(19-23-36)31-12-9-13-32-33(31)39(42)40(37-24-20-35-21-25-37)38(32)34(41)28-10-6-5-7-11-28/h5-7,9-17,27,35,39H,2-4,8,18-26H2,1H3