N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-pyrazol-1-yl-benzamide 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=C(C=C3)N4C=CC=N4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

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