(2S)-1-[(1,3-diphenylpyrazol-4-yl)methyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(1,3-diphenylpyrazol-4-yl)methyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(1,3-diphenylpyrazol-4-yl)methyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(1,3-diphenyl-4-pyrazolyl)methyl]-N,N-dimethyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(1,3-diphenylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(1,3-diphenylpyrazol-4-yl)methyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CCC[NH+]1CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)[C@@H]1CCC[NH+]1CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O/c1-25(2)23(28)21-14-9-15-26(21)16-19-17-27(20-12-7-4-8-13-20)24-22(19)18-10-5-3-6-11-18/h3-8,10-13,17,21H,9,14-16H2,1-2H3/p+1/t21-/m0/s1