3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide

Systemtic Name: 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Openeye Name: 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide CAS Name: 3-[2-(hydroxymethyl)-1-benzimidazolyl]-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Traditional Name: 3-(2-methylolbenzimidazol-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propionamide Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCN3C4=CC=CC=C4N=C3CO

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCN3C4=CC=CC=C4N=C3CO

InChI

InChI=1S/C24H30N4O2/c29-18-23-26-21-10-4-5-11-22(21)28(23)16-13-24(30)25-20-9-6-14-27(17-20)15-12-19-7-2-1-3-8-19/h1-5,7-8,10-11,20,29H,6,9,12-18H2,(H,25,30)/p+1/t20-/m0/s1