2-[2-azanyl-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 2-[2-azanyl-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanone Openeye Name: 2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-[2-amino-3-(2-diethylaminoethyl)-1-benzimidazol-1-iumyl]-1-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanone Traditional Name: 2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanone Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(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+1