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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H20N4O2/c24-23(25)16-7-3-5-14(11-16)12-22-10-4-6-15(13-22)19-20-17-8-1-2-9-18(17)21-19/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,20,21)/p+1/t15-/m0/s1