(3R)-1-(3-chloranyl-4-methoxy-phenyl)-5-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrolidine-3-carboxamide

Systemtic Name: (3R)-1-(3-chloranyl-4-methoxy-phenyl)-5-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrolidine-3-carboxamide Openeye Name: (3R)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(3-chloro-4-methoxy-phenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3R)-1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-pyrrolidinecarboxamide IUPAC Name: (3R)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3R)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(3-chloro-4-methoxy-phenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C24H29ClN3O3+ MolecularWeight: 442.95836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C[C@@H](CC2=O)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H28ClN3O3/c1-31-22-8-7-20(14-21(22)25)28-16-18(13-23(28)29)24(30)26-19-9-11-27(12-10-19)15-17-5-3-2-4-6-17/h2-8,14,18-19H,9-13,15-16H2,1H3,(H,26,30)/p+1/t18-/m1/s1