2-[2-azanyl-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone

Systemtic Name: 2-[2-azanyl-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone Openeye Name: 2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone CAS Name: 2-[2-amino-3-(2-diethylaminoethyl)-1-benzimidazol-1-iumyl]-1-(3-methoxyphenyl)ethanone IUPAC Name: 2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone Traditional Name: 2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2/c1-4-24(5-2)13-14-25-19-11-6-7-12-20(19)26(22(25)23)16-21(27)17-9-8-10-18(15-17)28-3/h6-12,15,23H,4-5,13-14,16H2,1-3H3/p+1