N-[4-[(3S,4R)-4-(4-chlorophenyl)carbonyl-1-methyl-pyrrolidin-1-ium-3-yl]phenyl]ethanamide

Systemtic Name: N-[4-[(3S,4R)-4-(4-chlorophenyl)carbonyl-1-methyl-pyrrolidin-1-ium-3-yl]phenyl]ethanamide Openeye Name: N-[4-[(3S,4R)-4-(4-chlorobenzoyl)-1-methyl-pyrrolidin-1-ium-3-yl]phenyl]acetamide CAS Name: N-[4-[(3S,4R)-4-[(4-chlorophenyl)-oxomethyl]-1-methyl-3-pyrrolidin-1-iumyl]phenyl]acetamide IUPAC Name: N-[4-[(3S,4R)-4-(4-chlorobenzoyl)-1-methylpyrrolidin-1-ium-3-yl]phenyl]acetamide Traditional Name: N-[4-[(3S,4R)-4-(4-chlorobenzoyl)-1-methyl-pyrrolidin-1-ium-3-yl]phenyl]acetamide Formula: C20H22ClN2O2+ MolecularWeight: 357.85388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2C[NH+](CC2C(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)[C@H]2C[NH+](C[C@@H]2C(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H21ClN2O2/c1-13(24)22-17-9-5-14(6-10-17)18-11-23(2)12-19(18)20(25)15-3-7-16(21)8-4-15/h3-10,18-19H,11-12H2,1-2H3,(H,22,24)/p+1/t18-,19+/m1/s1