N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]quinoline-5-carboxamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]quinoline-5-carboxamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]quinoline-5-carboxamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-quinolinecarboxamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]quinoline-5-carboxamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]quinoline-5-carboxamide Formula: C22H23ClN3O+ MolecularWeight: 380.89052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=C3C=CC=NC3=CC=C2)C4=CC=CC=C4Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=C3C=CC=NC3=CC=C2)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H22ClN3O/c23-19-10-2-1-7-18(19)21(26-13-3-4-14-26)15-25-22(27)17-8-5-11-20-16(17)9-6-12-24-20/h1-2,5-12,21H,3-4,13-15H2,(H,25,27)/p+1/t21-/m0/s1