(1Z)-N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-2-methoxy-benzenecarboximidate

Systemtic Name: (1Z)-N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-2-methoxy-benzenecarboximidate Openeye Name: (1Z)-N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-2-methoxy-benzenecarboximidate CAS Name: (1Z)-N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-1-piperazin-1-iumyl]-2-methoxybenzenecarboximidate IUPAC Name: (1Z)-N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methylpiperazin-1-ium-1-yl]-2-methoxybenzenecarboximidate Traditional Name: (1Z)-N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-2-methoxy-benzenecarboximidate Formula: C26H26ClN5O2 MolecularWeight: 475.96994

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)N=C(C5=CC=CC=C5OC)[O-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)/N=C(/C5=CC=CC=C5OC)\[O-]

InChI

InChI=1S/C26H26ClN5O2/c1-32(30-26(33)20-8-4-6-10-24(20)34-2)15-13-31(14-16-32)25-19-7-3-5-9-21(19)28-22-12-11-18(27)17-23(22)29-25/h3-12,17H,13-16H2,1-2H3,(H-,28,29,30,33)