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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCC[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCC[NH+]3CCOCC3)C4=CC=CC=C4

InChI

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