3-chloranyl-6-(4-methyl-4-oxidanidyl-piperazine-1,4-diium-1-yl)-5H-benzo[b][1,4]benzodiazepin-11-ium

Systemtic Name: 3-chloranyl-6-(4-methyl-4-oxidanidyl-piperazine-1,4-diium-1-yl)-5H-benzo[b][1,4]benzodiazepin-11-ium Openeye Name: 3-chloro-6-(4-methyl-4-oxido-piperazine-1,4-diium-1-yl)-5H-benzo[b][1,4]benzodiazepin-11-ium CAS Name: 3-chloro-6-(4-methyl-4-oxido-1-piperazine-1,4-diiumyl)-5H-benzo[b][1,4]benzodiazepin-11-ium IUPAC Name: 3-chloro-6-(4-methyl-4-oxidopiperazine-1,4-diium-1-yl)-5H-benzo[b][1,4]benzodiazepin-11-ium Traditional Name: 3-chloro-6-(4-methyl-4-oxido-piperazine-1,4-diium-1-yl)-5H-benzo[b][1,4]benzodiazepin-11-ium Formula: C18H21ClN4O+2 MolecularWeight: 344.83854

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC[NH+](CC1)C2=C3C=CC=CC3=[NH+]C4=C(N2)C=C(C=C4)Cl)[O-]

Isomeric SMILES

C[N+]1(CC[NH+](CC1)C2=C3C=CC=CC3=[NH+]C4=C(N2)C=C(C=C4)Cl)[O-]

InChI

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