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

Systemtic Name: 3-[[4-[(2-nitrophenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[(2-nitrophenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[(2-nitrophenyl)methyl]-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[[4-[(2-nitrophenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-(2-nitrobenzyl)piperazin-1-ium-1-yl]methyl]-1H-indole Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O2/c25-24(26)20-8-4-1-5-16(20)14-22-9-11-23(12-10-22)15-17-13-21-19-7-3-2-6-18(17)19/h1-8,13,21H,9-12,14-15H2/p+1