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

Systemtic Name: 3-[[4-[(3-nitrophenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[(3-nitrophenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[(3-nitrophenyl)methyl]-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[[4-[(3-nitrophenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-(3-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)18-5-3-4-16(12-18)14-22-8-10-23(11-9-22)15-17-13-21-20-7-2-1-6-19(17)20/h1-7,12-13,21H,8-11,14-15H2/p+1