methyl 2-[4-[2-[2-azanyl-3-(2-dimethylaminoethyl)benzimidazol-1-ium-1-yl]ethanoyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[2-[2-azanyl-3-(2-dimethylaminoethyl)benzimidazol-1-ium-1-yl]ethanoyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[2-[2-amino-3-(2-dimethylaminoethyl)benzimidazol-1-ium-1-yl]acetyl]phenoxy]acetate CAS Name: 2-[4-[2-[2-amino-3-(2-dimethylaminoethyl)-1-benzimidazol-1-iumyl]-1-oxoethyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-[2-amino-3-(2-dimethylaminoethyl)benzimidazol-1-ium-1-yl]acetyl]phenoxy]acetate Traditional Name: 2-[4-[2-[2-amino-3-(2-dimethylaminoethyl)benzimidazol-1-ium-1-yl]acetyl]phenoxy]acetic acid methyl ester Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-24(2)12-13-25-18-6-4-5-7-19(18)26(22(25)23)14-20(27)16-8-10-17(11-9-16)30-15-21(28)29-3/h4-11,23H,12-15H2,1-3H3/p+1