(2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(1-methyl-4-pyrazolyl)methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-ium-2-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCC2C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC[C@@H]2C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H26N4O2/c1-26-15-17(14-24-26)16-27-12-4-7-22(27)23(28)25-20-10-8-18(9-11-20)19-5-3-6-21(13-19)29-2/h3,5-6,8-11,13-15,22H,4,7,12,16H2,1-2H3,(H,25,28)/p+1/t22-/m1/s1