N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-(1,2,4-triazol-1-yl)benzamide Formula: C19H22N7O+ MolecularWeight: 364.42428

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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=NC=N4

Isomeric SMILES

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

InChI

InChI=1S/C19H21N7O/c1-24-8-10-25(11-9-24)18-7-4-16(12-21-18)23-19(27)15-2-5-17(6-3-15)26-14-20-13-22-26/h2-7,12-14H,8-11H2,1H3,(H,23,27)/p+1