N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(1-phenylpyrazol-4-yl)propanamide

Systemtic Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(1-phenylpyrazol-4-yl)propanamide Openeye Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(1-phenylpyrazol-4-yl)propanamide CAS Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-(1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-(1-phenylpyrazol-4-yl)propanamide Traditional Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(1-phenylpyrazol-4-yl)propionamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C25H30N4O2/c1-31-24-12-6-5-11-22(24)23(28-15-7-8-16-28)18-26-25(30)14-13-20-17-27-29(19-20)21-9-3-2-4-10-21/h2-6,9-12,17,19,23H,7-8,13-16,18H2,1H3,(H,26,30)/p+1/t23-/m0/s1