2-methyl-5-(4-methylpiperazin-1-yl)-6-oxidanidyl-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepin-6-ium

Systemtic Name: 2-methyl-5-(4-methylpiperazin-1-yl)-6-oxidanidyl-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepin-6-ium Openeye Name: 2-methyl-5-(4-methylpiperazin-1-yl)-6-oxido-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepin-6-ium CAS Name: 2-methyl-5-(4-methyl-1-piperazinyl)-6-oxido-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepin-6-ium IUPAC Name: 2-methyl-5-(4-methylpiperazin-1-yl)-6-oxido-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepin-6-ium Traditional Name: 2-methyl-5-(4-methylpiperazino)-6-oxido-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepin-6-ium Formula: C16H20N6O MolecularWeight: 312.3696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=N1)CC3=CC=CC=C3[N+](=C2N4CCN(CC4)C)[O-]

Isomeric SMILES

CC1=NN2C(=N1)CC3=CC=CC=C3[N+](=C2N4CCN(CC4)C)[O-]

InChI

InChI=1S/C16H20N6O/c1-12-17-15-11-13-5-3-4-6-14(13)22(23)16(21(15)18-12)20-9-7-19(2)8-10-20/h3-6H,7-11H2,1-2H3