2-[(3S)-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium-3-yl]-1H-benzimidazole

Systemtic Name: 2-[(3S)-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium-3-yl]-1H-benzimidazole Openeye Name: 2-[(3S)-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium-3-yl]-1H-benzimidazole CAS Name: 2-[(3S)-1-[(3,4-dichlorophenyl)methyl]-3-piperidin-1-iumyl]-1H-benzimidazole IUPAC Name: 2-[(3S)-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium-3-yl]-1H-benzimidazole Traditional Name: 2-[(3S)-1-(3,4-dichlorobenzyl)piperidin-1-ium-3-yl]-1H-benzimidazole Formula: C19H20Cl2N3+ MolecularWeight: 361.2882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19Cl2N3/c20-15-8-7-13(10-16(15)21)11-24-9-3-4-14(12-24)19-22-17-5-1-2-6-18(17)23-19/h1-2,5-8,10,14H,3-4,9,11-12H2,(H,22,23)/p+1/t14-/m0/s1