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

Systemtic Name: 2-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]-1H-benzimidazole Openeye Name: 2-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]-1H-benzimidazole CAS Name: 2-[1-[(3-nitrophenyl)methyl]-4-piperidin-1-iumyl]-1H-benzimidazole IUPAC Name: 2-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]-1H-benzimidazole Traditional Name: 2-[1-(3-nitrobenzyl)piperidin-1-ium-4-yl]-1H-benzimidazole Formula: C19H21N4O2+ MolecularWeight: 337.39564

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3N2)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3N2)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

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