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

Systemtic Name: (1S)-2-(2-azanyl-3-ethyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol Openeye Name: (1S)-2-(2-amino-3-ethyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol CAS Name: (1S)-2-(2-amino-3-ethyl-1-benzimidazol-1-iumyl)-1-(3,4-dichlorophenyl)ethanol IUPAC Name: (1S)-2-(2-amino-3-ethylbenzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol Traditional Name: (1S)-2-(2-amino-3-ethyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanol Formula: C17H18Cl2N3O+ MolecularWeight: 351.25032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2[N+](=C1N)CC(C3=CC(=C(C=C3)Cl)Cl)O

Isomeric SMILES

CCN1C2=CC=CC=C2[N+](=C1N)C[C@H](C3=CC(=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C17H17Cl2N3O/c1-2-21-14-5-3-4-6-15(14)22(17(21)20)10-16(23)11-7-8-12(18)13(19)9-11/h3-9,16,20,23H,2,10H2,1H3/p+1/t16-/m1/s1