(3S)-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide CAS Name: (3S)-N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(p-tolyl)pyrrolidine-3-carboxamide Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC(C3=CC(=CC=C3)OC)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NC[C@@H](C3=CC(=CC=C3)OC)[NH+]4CCCC4

InChI

InChI=1S/C25H31N3O3/c1-18-8-10-21(11-9-18)28-17-20(15-24(28)29)25(30)26-16-23(27-12-3-4-13-27)19-6-5-7-22(14-19)31-2/h5-11,14,20,23H,3-4,12-13,15-17H2,1-2H3,(H,26,30)/p+1/t20-,23-/m0/s1