N'-[1-(1-phenylcycloheptyl)-1-piperidin-4-yl-benzimidazol-1-ium-2-yl]ethane-1,2-diamine

Systemtic Name: N'-[1-(1-phenylcycloheptyl)-1-piperidin-4-yl-benzimidazol-1-ium-2-yl]ethane-1,2-diamine Openeye Name: N'-[1-(1-phenylcycloheptyl)-1-(4-piperidyl)benzimidazol-1-ium-2-yl]ethane-1,2-diamine CAS Name: N'-[1-(1-phenylcycloheptyl)-1-(4-piperidinyl)-2-benzimidazol-1-iumyl]ethane-1,2-diamine IUPAC Name: N'-[1-(1-phenylcycloheptyl)-1-piperidin-4-ylbenzimidazol-1-ium-2-yl]ethane-1,2-diamine Traditional Name: 2-aminoethyl-[1-(1-phenylcycloheptyl)-1-(4-piperidyl)benzimidazol-1-ium-2-yl]amine Formula: C27H38N5+ MolecularWeight: 432.62412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C2=CC=CC=C2)[N+]3(C4=CC=CC=C4N=C3NCCN)C5CCNCC5

Isomeric SMILES

C1CCCC(CC1)(C2=CC=CC=C2)[N+]3(C4=CC=CC=C4N=C3NCCN)C5CCNCC5

InChI

InChI=1S/C27H38N5/c28-18-21-30-26-31-24-12-6-7-13-25(24)32(26,23-14-19-29-20-15-23)27(16-8-1-2-9-17-27)22-10-4-3-5-11-22/h3-7,10-13,23,29H,1-2,8-9,14-21,28H2,(H,30,31)/q+1