(1-methylbenzotriazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (1-methylbenzotriazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (1-methylbenzotriazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (1-methyl-5-benzotriazolyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (1-methylbenzotriazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (1-methylbenzotriazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C17H19N6O+ MolecularWeight: 323.37236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O/c1-21-15-6-5-13(12-14(15)19-20-21)17(24)23-10-8-22(9-11-23)16-4-2-3-7-18-16/h2-7,12H,8-11H2,1H3/p+1