1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(2,6-dimethyl-1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3/c1-15-3-8-19-20(13-15)23-16(2)22(19)21(27)14-24-9-11-25(12-10-24)17-4-6-18(7-5-17)26(28)29/h3-8,13,23H,9-12,14H2,1-2H3/p+1