N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-(1-pyrrolidin-1-iumylmethyl)benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCC4

InChI

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