3-piperidin-4-yl-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1H-benzimidazol-3-ium-2-one

Systemtic Name: 3-piperidin-4-yl-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1H-benzimidazol-3-ium-2-one Openeye Name: 3-(4-piperidyl)-3-[[4-[3-(1-piperidyl)propoxy]phenyl]methyl]-1H-benzimidazol-3-ium-2-one CAS Name: 3-(4-piperidinyl)-3-[[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1H-benzimidazol-3-ium-2-one IUPAC Name: 3-piperidin-4-yl-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1H-benzimidazol-3-ium-2-one Traditional Name: 3-[4-(3-piperidinopropoxy)benzyl]-3-(4-piperidyl)-1H-benzimidazol-3-ium-2-one Formula: C27H37N4O2+ MolecularWeight: 449.60828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)C[N+]3(C4=CC=CC=C4NC3=O)C5CCNCC5

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)C[N+]3(C4=CC=CC=C4NC3=O)C5CCNCC5

InChI

InChI=1S/C27H36N4O2/c32-27-29-25-7-2-3-8-26(25)31(27,23-13-15-28-16-14-23)21-22-9-11-24(12-10-22)33-20-6-19-30-17-4-1-5-18-30/h2-3,7-12,23,28H,1,4-6,13-21H2/p+1