3-(4-methoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-methoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-methoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-1H-pyrazole-5-carboxamide CAS Name: 3-(4-methoxyphenyl)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-methoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-methoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-1H-pyrazole-5-carboxamide Formula: C17H22N5O2+ MolecularWeight: 328.38888

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OC)CC1

Isomeric SMILES

C[NH+]1CCC(=NNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OC)CC1

InChI

InChI=1S/C17H21N5O2/c1-22-9-7-13(8-10-22)18-21-17(23)16-11-15(19-20-16)12-3-5-14(24-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,19,20)(H,21,23)/p+1