9-nitro-6-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]indolo[3,2-b]quinoxaline

Systemtic Name: 9-nitro-6-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]indolo[3,2-b]quinoxaline Openeye Name: 6-[2-(4-benzylpiperazin-4-ium-1-yl)ethyl]-9-nitro-indolo[3,2-b]quinoxaline CAS Name: 9-nitro-6-[2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]indolo[3,2-b]quinoxaline IUPAC Name: 6-[2-(4-benzylpiperazin-4-ium-1-yl)ethyl]-9-nitroindolo[3,2-b]quinoxaline Traditional Name: 6-[2-(4-benzylpiperazin-4-ium-1-yl)ethyl]-9-nitro-indolo[3,2-b]quinoxaline Formula: C27H27N6O2+ MolecularWeight: 467.54228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CCN3C4=C(C=C(C=C4)[N+](=O)[O-])C5=NC6=CC=CC=C6N=C53

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CCN3C4=C(C=C(C=C4)[N+](=O)[O-])C5=NC6=CC=CC=C6N=C53

InChI

InChI=1S/C27H26N6O2/c34-33(35)21-10-11-25-22(18-21)26-27(29-24-9-5-4-8-23(24)28-26)32(25)17-16-30-12-14-31(15-13-30)19-20-6-2-1-3-7-20/h1-11,18H,12-17,19H2/p+1