1-(7-ethyl-1H-indol-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(7-ethyl-1H-indol-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(7-ethyl-1H-indol-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(7-ethyl-1H-indol-3-yl)-2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(7-ethyl-1H-indol-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(7-ethyl-1H-indol-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanone Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

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