1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanone Formula: C22H25N4O4+ MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)OC)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)OC)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4/c1-15-22(19-13-18(30-2)7-8-20(19)23-15)21(27)14-24-9-11-25(12-10-24)16-3-5-17(6-4-16)26(28)29/h3-8,13,23H,9-12,14H2,1-2H3/p+1