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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3/c1-16-22(19-4-2-3-5-20(19)23-16)21(27)15-25-12-10-24(11-13-25)14-17-6-8-18(9-7-17)26(28)29/h2-9,23H,10-15H2,1H3/p+1