4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-(1-benzimidazolyl)-N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C28H31N4O2+ MolecularWeight: 455.57134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C43)[NH+]5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](CNC(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C43)[NH+]5CCCCC5

InChI

InChI=1S/C28H30N4O2/c1-34-24-15-11-21(12-16-24)27(31-17-5-2-6-18-31)19-29-28(33)22-9-13-23(14-10-22)32-20-30-25-7-3-4-8-26(25)32/h3-4,7-16,20,27H,2,5-6,17-19H2,1H3,(H,29,33)/p+1/t27-/m1/s1