2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-oxidanylidene-ethanamide

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-oxidanylidene-ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-oxo-acetamide CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-oxoacetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxoacetamide Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]acetamide Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NC[C@@H](C3=CC=C(C=C3)OC)[NH+]4CCCC4

InChI

InChI=1S/C26H30N4O3/c1-18-24(19(2)30(28-18)21-9-5-4-6-10-21)25(31)26(32)27-17-23(29-15-7-8-16-29)20-11-13-22(33-3)14-12-20/h4-6,9-14,23H,7-8,15-17H2,1-3H3,(H,27,32)/p+1/t23-/m0/s1