1-[(4-methylpiperazin-4-ium-1-yl)methyl]benzotriazole

Systemtic Name: 1-[(4-methylpiperazin-4-ium-1-yl)methyl]benzotriazole Openeye Name: 1-[(4-methylpiperazin-4-ium-1-yl)methyl]benzotriazole CAS Name: 1-[(4-methyl-1-piperazin-4-iumyl)methyl]benzotriazole IUPAC Name: 1-[(4-methylpiperazin-4-ium-1-yl)methyl]benzotriazole Traditional Name: 1-[(4-methylpiperazin-4-ium-1-yl)methyl]benzotriazole Formula: C12H18N5+ MolecularWeight: 232.30482

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

C[NH+]1CCN(CC1)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C12H17N5/c1-15-6-8-16(9-7-15)10-17-12-5-3-2-4-11(12)13-14-17/h2-5H,6-10H2,1H3/p+1