(3R)-1-(2-methylpropyl)-5-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrolidine-3-carboxamide

Systemtic Name: (3R)-1-(2-methylpropyl)-5-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrolidine-3-carboxamide Openeye Name: (3R)-N-(1-benzylpiperidin-1-ium-4-yl)-1-isobutyl-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3R)-1-(2-methylpropyl)-5-oxo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-pyrrolidinecarboxamide IUPAC Name: (3R)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3R)-N-(1-benzylpiperidin-1-ium-4-yl)-1-isobutyl-5-keto-pyrrolidine-3-carboxamide Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CC1=O)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C[C@@H](CC1=O)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O2/c1-16(2)13-24-15-18(12-20(24)25)21(26)22-19-8-10-23(11-9-19)14-17-6-4-3-5-7-17/h3-7,16,18-19H,8-15H2,1-2H3,(H,22,26)/p+1/t18-/m1/s1