3-chloranyl-6-(4-methylpiperazin-1-ium-1-yl)-5H-benzo[b][1,4]benzodiazepin-11-ium

Systemtic Name: 3-chloranyl-6-(4-methylpiperazin-1-ium-1-yl)-5H-benzo[b][1,4]benzodiazepin-11-ium Openeye Name: 3-chloro-6-(4-methylpiperazin-1-ium-1-yl)-5H-benzo[b][1,4]benzodiazepin-11-ium CAS Name: 3-chloro-6-(4-methyl-1-piperazin-1-iumyl)-5H-benzo[b][1,4]benzodiazepin-11-ium IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-ium-1-yl)-5H-benzo[b][1,4]benzodiazepin-11-ium Traditional Name: 3-chloro-6-(4-methylpiperazin-1-ium-1-yl)-5H-benzo[b][1,4]benzodiazepin-11-ium Formula: C18H21ClN4+2 MolecularWeight: 328.83914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)C2=C3C=CC=CC3=[NH+]C4=C(N2)C=C(C=C4)Cl

Isomeric SMILES

CN1CC[NH+](CC1)C2=C3C=CC=CC3=[NH+]C4=C(N2)C=C(C=C4)Cl

InChI

InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)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