benzotriazol-1-yl-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: benzotriazol-1-yl-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: benzotriazol-1-yl-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: 1-benzotriazolyl-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: benzotriazol-1-yl-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: benzotriazol-1-yl-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C12H16N5O+ MolecularWeight: 246.28834

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)N2C3=CC=CC=C3N=N2

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C12H15N5O/c1-15-6-8-16(9-7-15)12(18)17-11-5-3-2-4-10(11)13-14-17/h2-5H,6-9H2,1H3/p+1