2-[2-azanyl-3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-azanyl-3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-amino-3-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-amino-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1-benzimidazol-3-iumyl]ethyl-diethylammonium IUPAC Name: 2-[2-amino-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]benzimidazol-3-ium-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-amino-3-[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]benzimidazol-3-ium-1-yl]ethyl-diethyl-ammonium Formula: C23H32N4O3+2 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3/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/h7-12,15,24H,5-6,13-14,16H2,1-4H3/p+2