3-[[4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazin-4-ium-1-yl]methyl]-9-ethyl-carbazole

Systemtic Name: 3-[[4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazin-4-ium-1-yl]methyl]-9-ethyl-carbazole Openeye Name: 3-[[4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazin-4-ium-1-yl]methyl]-9-ethyl-carbazole CAS Name: 3-[[4-[(4,5-dimethoxy-2-nitrophenyl)methyl]-1-piperazin-4-iumyl]methyl]-9-ethylcarbazole IUPAC Name: 3-[[4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazin-4-ium-1-yl]methyl]-9-ethylcarbazole Traditional Name: 3-[[4-(4,5-dimethoxy-2-nitro-benzyl)piperazin-4-ium-1-yl]methyl]-9-ethyl-carbazole Formula: C28H33N4O4+ MolecularWeight: 489.58602

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN3CC[NH+](CC3)CC4=CC(=C(C=C4[N+](=O)[O-])OC)OC)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN3CC[NH+](CC3)CC4=CC(=C(C=C4[N+](=O)[O-])OC)OC)C5=CC=CC=C51

InChI

InChI=1S/C28H32N4O4/c1-4-31-24-8-6-5-7-22(24)23-15-20(9-10-25(23)31)18-29-11-13-30(14-12-29)19-21-16-27(35-2)28(36-3)17-26(21)32(33)34/h5-10,15-17H,4,11-14,18-19H2,1-3H3/p+1