3-chloranyl-6-(4-methylpiperazin-1-yl)-11-oxidanidyl-11H-benzo[b][1,4]benzodiazepin-11-ium

Systemtic Name: 3-chloranyl-6-(4-methylpiperazin-1-yl)-11-oxidanidyl-11H-benzo[b][1,4]benzodiazepin-11-ium Openeye Name: 3-chloro-6-(4-methylpiperazin-1-yl)-11-oxido-11H-benzo[b][1,4]benzodiazepin-11-ium CAS Name: 3-chloro-6-(4-methyl-1-piperazinyl)-11-oxido-11H-benzo[b][1,4]benzodiazepin-11-ium IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-11-oxido-11H-benzo[b][1,4]benzodiazepin-11-ium Traditional Name: 3-chloro-6-(4-methylpiperazino)-11-oxido-11H-benzo[b][1,4]benzodiazepin-11-ium Formula: C18H19ClN4O MolecularWeight: 342.82266

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)[NH+](C4=CC=CC=C42)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)[NH+](C4=CC=CC=C42)[O-]

InChI

InChI=1S/C18H19ClN4O/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23(24)17-7-6-13(19)12-15(17)20-18/h2-7,12,23H,8-11H2,1H3