1-(2-azanylethyl)-3-(1-phenylcycloheptyl)-1-piperidin-4-yl-benzimidazol-1-ium-2-one

Systemtic Name: 1-(2-azanylethyl)-3-(1-phenylcycloheptyl)-1-piperidin-4-yl-benzimidazol-1-ium-2-one Openeye Name: 1-(2-aminoethyl)-3-(1-phenylcycloheptyl)-1-(4-piperidyl)benzimidazol-1-ium-2-one CAS Name: 1-(2-aminoethyl)-3-(1-phenylcycloheptyl)-1-(4-piperidinyl)-2-benzimidazol-1-iumone IUPAC Name: 1-(2-aminoethyl)-3-(1-phenylcycloheptyl)-1-piperidin-4-ylbenzimidazol-1-ium-2-one Traditional Name: 1-(2-aminoethyl)-3-(1-phenylcycloheptyl)-1-(4-piperidyl)benzimidazol-1-ium-2-one Formula: C27H37N4O+ MolecularWeight: 433.60888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C2=CC=CC=C2)N3C4=CC=CC=C4[N+](C3=O)(CCN)C5CCNCC5

Isomeric SMILES

C1CCCC(CC1)(C2=CC=CC=C2)N3C4=CC=CC=C4[N+](C3=O)(CCN)C5CCNCC5

InChI

InChI=1S/C27H37N4O/c28-18-21-31(23-14-19-29-20-15-23)25-13-7-6-12-24(25)30(26(31)32)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/q+1