1-(1H-indol-3-yl)-2-[4-[(4-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-(1H-indol-3-yl)-2-[4-[(4-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]ethanone Openeye Name: 1-(1H-indol-3-yl)-2-[4-[(4-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]ethanone CAS Name: 1-(1H-indol-3-yl)-2-[4-[(4-nitrophenyl)methyl]-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 1-(1H-indol-3-yl)-2-[4-[(4-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]ethanone Traditional Name: 1-(1H-indol-3-yl)-2-[4-(4-nitrobenzyl)piperazine-1,4-diium-1-yl]ethanone Formula: C21H24N4O3+2 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H22N4O3/c26-21(19-13-22-20-4-2-1-3-18(19)20)15-24-11-9-23(10-12-24)14-16-5-7-17(8-6-16)25(27)28/h1-8,13,22H,9-12,14-15H2/p+2