2-[2-azanylidene-3-[2-(3,4-dimethoxyphenyl)-2-oxidanyl-ethyl]benzimidazol-1-yl]ethyl-diethyl-azanium chloride

Systemtic Name: 2-[2-azanylidene-3-[2-(3,4-dimethoxyphenyl)-2-oxidanyl-ethyl]benzimidazol-1-yl]ethyl-diethyl-azanium chloride Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxy-ethyl]-2-imino-benzimidazol-1-yl]ethyl-diethyl-ammonium chloride CAS Name: 2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-imino-1-benzimidazolyl]ethyl-diethylammonium chloride IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium chloride Traditional Name: 2-[3-[2-(3,4-dimethoxyphenyl)-2-hydroxy-ethyl]-2-imino-benzimidazol-1-yl]ethyl-diethyl-ammonium chloride Formula: C23H33ClN4O3 MolecularWeight: 448.98612

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N(C1=N)CC(C3=CC(=C(C=C3)OC)OC)O.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N(C1=N)CC(C3=CC(=C(C=C3)OC)OC)O.[Cl-]

InChI

InChI=1S/C23H32N4O3.ClH/c1-5-25(6-2)13-14-26-18-9-7-8-10-19(18)27(23(26)24)16-20(28)17-11-12-21(29-3)22(15-17)30-4;/h7-12,15,20,24,28H,5-6,13-14,16H2,1-4H3;1H