1-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-pyrazole-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-pyrazole-4-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-1-(p-tolyl)pyrazole-4-carboxamide CAS Name: 1-(4-methylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-phenyl-4-pyrazolecarboxamide IUPAC Name: 1-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazole-4-carboxamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-1-(p-tolyl)pyrazole-4-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C23H26N4O2/c1-18-7-9-20(10-8-18)27-17-21(22(25-27)19-5-3-2-4-6-19)23(28)24-11-12-26-13-15-29-16-14-26/h2-10,17H,11-16H2,1H3,(H,24,28)/p+1