3-(4-methylphenyl)-N-(1-methylpiperidin-1-ium-4-yl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(4-methylphenyl)-N-(1-methylpiperidin-1-ium-4-yl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(1-methylpiperidin-1-ium-4-yl)-1-phenyl-3-(p-tolyl)pyrazole-4-carboxamide CAS Name: 3-(4-methylphenyl)-N-(1-methyl-4-piperidin-1-iumyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(4-methylphenyl)-N-(1-methylpiperidin-1-ium-4-yl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(1-methylpiperidin-1-ium-4-yl)-1-phenyl-3-(p-tolyl)pyrazole-4-carboxamide Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3CC[NH+](CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3CC[NH+](CC3)C)C4=CC=CC=C4

InChI

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