(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(2-hydroxyethyloxy)-2-(4-methylphenyl)-2-phenyl-ethanoate

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(2-hydroxyethyloxy)-2-(4-methylphenyl)-2-phenyl-ethanoate Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(2-hydroxyethoxy)-2-phenyl-2-(p-tolyl)acetate CAS Name: 2-(2-hydroxyethoxy)-2-(4-methylphenyl)-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(2-hydroxyethoxy)-2-(4-methylphenyl)-2-phenylacetate Traditional Name: 2-(2-hydroxyethoxy)-2-phenyl-2-(p-tolyl)acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester Formula: C23H30NO4+ MolecularWeight: 384.4886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)OC3CC[N+](C3)(C)C)OCCO

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)OC3CC[N+](C3)(C)C)OCCO

InChI

InChI=1S/C23H30NO4/c1-18-9-11-20(12-10-18)23(27-16-15-25,19-7-5-4-6-8-19)22(26)28-21-13-14-24(2,3)17-21/h4-12,21,25H,13-17H2,1-3H3/q+1