N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-3-phenyl-1H-pyrazole-5-carboxamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-3-phenyl-1H-pyrazole-5-carboxamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-3-phenyl-1H-pyrazole-5-carboxamide Formula: C20H23N6O+ MolecularWeight: 363.43622

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N6O/c1-25-9-11-26(12-10-25)19-8-7-16(14-21-19)22-20(27)18-13-17(23-24-18)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,22,27)(H,23,24)/p+1