1-ethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]benzotriazole-5-carboxamide Openeye Name: 1-ethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-5-benzotriazolecarboxamide IUPAC Name: 1-ethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]benzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]benzotriazole-5-carboxamide Formula: C19H24N7O+ MolecularWeight: 366.44016

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C)N=N1

InChI

InChI=1S/C19H23N7O/c1-3-26-17-6-4-14(12-16(17)22-23-26)19(27)21-15-5-7-18(20-13-15)25-10-8-24(2)9-11-25/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,27)/p+1