1-(1-phenylcycloheptyl)-1-piperidin-4-yl-N-prop-2-enyl-benzimidazol-1-ium-2-amine

Systemtic Name: 1-(1-phenylcycloheptyl)-1-piperidin-4-yl-N-prop-2-enyl-benzimidazol-1-ium-2-amine Openeye Name: N-allyl-1-(1-phenylcycloheptyl)-1-(4-piperidyl)benzimidazol-1-ium-2-amine CAS Name: 1-(1-phenylcycloheptyl)-1-(4-piperidinyl)-N-prop-2-enyl-2-benzimidazol-1-iumamine IUPAC Name: 1-(1-phenylcycloheptyl)-1-piperidin-4-yl-N-prop-2-enylbenzimidazol-1-ium-2-amine Traditional Name: allyl-[1-(1-phenylcycloheptyl)-1-(4-piperidyl)benzimidazol-1-ium-2-yl]amine Formula: C28H37N4+ MolecularWeight: 429.62018

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC2=CC=CC=C2[N+]1(C3CCNCC3)C4(CCCCCC4)C5=CC=CC=C5

Isomeric SMILES

C=CCNC1=NC2=CC=CC=C2[N+]1(C3CCNCC3)C4(CCCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H37N4/c1-2-20-30-27-31-25-14-8-9-15-26(25)32(27,24-16-21-29-22-17-24)28(18-10-3-4-11-19-28)23-12-6-5-7-13-23/h2,5-9,12-15,24,29H,1,3-4,10-11,16-22H2,(H,30,31)/q+1