2-[2-azanyl-3-[(2S)-2-(3,4-dichlorophenyl)-2-oxidanyl-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-azanyl-3-[(2S)-2-(3,4-dichlorophenyl)-2-oxidanyl-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-amino-3-[(2S)-2-(3,4-dichlorophenyl)-2-hydroxy-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-amino-3-[(2S)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-1-benzimidazol-3-iumyl]ethyl-diethylammonium IUPAC Name: 2-[2-amino-3-[(2S)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]benzimidazol-3-ium-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-amino-3-[(2S)-2-(3,4-dichlorophenyl)-2-hydroxy-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium Formula: C21H28Cl2N4O+2 MolecularWeight: 423.37922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26Cl2N4O/c1-3-25(4-2)11-12-26-18-7-5-6-8-19(18)27(21(26)24)14-20(28)15-9-10-16(22)17(23)13-15/h5-10,13,20,24,28H,3-4,11-12,14H2,1-2H3/p+2/t20-/m1/s1