3-(benzimidazol-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide

Systemtic Name: 3-(benzimidazol-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Openeye Name: 3-(benzimidazol-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide CAS Name: 3-(1-benzimidazolyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-(benzimidazol-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Traditional Name: 3-(benzimidazol-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propionamide Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCN3C=NC4=CC=CC=C43

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCN3C=NC4=CC=CC=C43

InChI

InChI=1S/C23H28N4O/c28-23(13-16-27-18-24-21-10-4-5-11-22(21)27)25-20-9-6-14-26(17-20)15-12-19-7-2-1-3-8-19/h1-5,7-8,10-11,18,20H,6,9,12-17H2,(H,25,28)/p+1/t20-/m0/s1