N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanamide

Systemtic Name: N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide CAS Name: N-[4-(2-oxo-1-pyrrolidinyl)phenyl]-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: 3-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide Traditional Name: 3-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-ketopyrrolidino)phenyl]propionamide Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CC[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CC[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O2/c29-24(26-22-8-10-23(11-9-22)28-15-4-7-25(28)30)14-18-27-16-12-21(13-17-27)19-20-5-2-1-3-6-20/h1-3,5-6,8-11,21H,4,7,12-19H2,(H,26,29)/p+1