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

Systemtic Name: 3-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]-1H-indole Openeye Name: 3-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]-1H-indole CAS Name: 3-[1-[(2-nitrophenyl)methyl]-4-piperidin-1-iumyl]-1H-indole IUPAC Name: 3-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]-1H-indole Traditional Name: 3-[1-(2-nitrobenzyl)piperidin-1-ium-4-yl]-1H-indole Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CNC3=CC=CC=C32)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C2=CNC3=CC=CC=C32)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O2/c24-23(25)20-8-4-1-5-16(20)14-22-11-9-15(10-12-22)18-13-21-19-7-3-2-6-17(18)19/h1-8,13,15,21H,9-12,14H2/p+1