N-(1-methylbenzotriazol-5-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide

Systemtic Name: N-(1-methylbenzotriazol-5-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Openeye Name: N-(1-methylbenzotriazol-5-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide CAS Name: N-(1-methyl-5-benzotriazolyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-(1-methylbenzotriazol-5-yl)-4-pyridin-1-ium-2-ylpiperazine-1-carboxamide Traditional Name: N-(1-methylbenzotriazol-5-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Formula: C17H20N7O+ MolecularWeight: 338.387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)N=N1

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)N=N1

InChI

InChI=1S/C17H19N7O/c1-22-15-6-5-13(12-14(15)20-21-22)19-17(25)24-10-8-23(9-11-24)16-4-2-3-7-18-16/h2-7,12H,8-11H2,1H3,(H,19,25)/p+1