[5,5-dimethyl-2-(2-phenylethenyl)-3,4-dihydropyrrol-1-ium-3-yl] benzoate

Systemtic Name: [5,5-dimethyl-2-(2-phenylethenyl)-3,4-dihydropyrrol-1-ium-3-yl] benzoate Openeye Name: (5,5-dimethyl-2-styryl-3,4-dihydropyrrol-1-ium-3-yl) benzoate CAS Name: benzoic acid [5,5-dimethyl-2-(2-phenylethenyl)-3,4-dihydropyrrol-1-ium-3-yl] ester IUPAC Name: [5,5-dimethyl-2-(2-phenylethenyl)-3,4-dihydropyrrol-1-ium-3-yl] benzoate Traditional Name: benzoic acid (5,5-dimethyl-2-styryl-1-pyrrolin-1-ium-3-yl) ester Formula: C21H22NO2+ MolecularWeight: 320.40488

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(=[NH+]1)C=CC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(C(=[NH+]1)C=CC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H21NO2/c1-21(2)15-19(24-20(23)17-11-7-4-8-12-17)18(22-21)14-13-16-9-5-3-6-10-16/h3-14,19H,15H2,1-2H3/p+1