(1S)-2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol

Systemtic Name: (1S)-2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol Openeye Name: (1S)-2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol CAS Name: (1S)-2-(2-amino-3-methyl-1-benzimidazol-3-iumyl)-1-(3,4-dichlorophenyl)ethanol IUPAC Name: (1S)-2-(2-amino-3-methylbenzimidazol-3-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol Traditional Name: (1S)-2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol Formula: C16H16Cl2N3O+ MolecularWeight: 337.22374

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CC(C3=CC(=C(C=C3)Cl)Cl)O)N

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)C[C@H](C3=CC(=C(C=C3)Cl)Cl)O)N

InChI

InChI=1S/C16H15Cl2N3O/c1-20-13-4-2-3-5-14(13)21(16(20)19)9-15(22)10-6-7-11(17)12(18)8-10/h2-8,15,19,22H,9H2,1H3/p+1/t15-/m1/s1