1-(1-methyl-2-phenyl-indol-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(1-methyl-2-phenyl-indol-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-methyl-2-phenyl-indol-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-methyl-2-phenyl-3-indolyl)-2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1-methyl-2-phenylindol-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1-methyl-2-phenyl-indol-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanone Formula: C27H27N4O3+ MolecularWeight: 455.52828

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O3/c1-28-22-12-6-5-11-21(22)26(27(28)20-9-3-2-4-10-20)25(32)19-29-15-17-30(18-16-29)23-13-7-8-14-24(23)31(33)34/h2-14H,15-19H2,1H3/p+1