N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 2-keto-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1H-quinoline-4-carboxamide Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=O)NC3=CC=CC=C32)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=O)NC3=CC=CC=C32)[NH+]4CCCC4

InChI

InChI=1S/C23H25N3O3/c1-29-17-10-8-16(9-11-17)21(26-12-4-5-13-26)15-24-23(28)19-14-22(27)25-20-7-3-2-6-18(19)20/h2-3,6-11,14,21H,4-5,12-13,15H2,1H3,(H,24,28)(H,25,27)/p+1/t21-/m0/s1