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

Systemtic Name: 4-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-1H-indole Openeye Name: 4-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-1H-indole CAS Name: 4-[4-[(3-nitrophenyl)methyl]-1-piperazin-4-iumyl]-1H-indole IUPAC Name: 4-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-1H-indole Traditional Name: 4-[4-(3-nitrobenzyl)piperazin-4-ium-1-yl]-1H-indole Formula: C19H21N4O2+ MolecularWeight: 337.39564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC4=C3C=CN4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC4=C3C=CN4

InChI

InChI=1S/C19H20N4O2/c24-23(25)16-4-1-3-15(13-16)14-21-9-11-22(12-10-21)19-6-2-5-18-17(19)7-8-20-18/h1-8,13,20H,9-12,14H2/p+1