1-(1-phenylcycloheptyl)-2-[4-(phenylmethyl)piperazin-1-yl]-1-piperidin-4-yl-benzimidazol-1-ium

Systemtic Name: 1-(1-phenylcycloheptyl)-2-[4-(phenylmethyl)piperazin-1-yl]-1-piperidin-4-yl-benzimidazol-1-ium Openeye Name: 2-(4-benzylpiperazin-1-yl)-1-(1-phenylcycloheptyl)-1-(4-piperidyl)benzimidazol-1-ium CAS Name: 1-(1-phenylcycloheptyl)-2-[4-(phenylmethyl)-1-piperazinyl]-1-(4-piperidinyl)benzimidazol-1-ium IUPAC Name: 2-(4-benzylpiperazin-1-yl)-1-(1-phenylcycloheptyl)-1-piperidin-4-ylbenzimidazol-1-ium Traditional Name: 2-(4-benzylpiperazino)-1-(1-phenylcycloheptyl)-1-(4-piperidyl)benzimidazol-1-ium Formula: C36H46N5+ MolecularWeight: 548.78394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C2=CC=CC=C2)[N+]3(C4=CC=CC=C4N=C3N5CCN(CC5)CC6=CC=CC=C6)C7CCNCC7

Isomeric SMILES

C1CCCC(CC1)(C2=CC=CC=C2)[N+]3(C4=CC=CC=C4N=C3N5CCN(CC5)CC6=CC=CC=C6)C7CCNCC7

InChI

InChI=1S/C36H46N5/c1-2-12-22-36(21-11-1,31-15-7-4-8-16-31)41(32-19-23-37-24-20-32)34-18-10-9-17-33(34)38-35(41)40-27-25-39(26-28-40)29-30-13-5-3-6-14-30/h3-10,13-18,32,37H,1-2,11-12,19-29H2/q+1