carboxymethyl sulfite; 2-methyl-4,6-diphenyl-1-prop-2-enyl-pyridin-1-ium

Systemtic Name: carboxymethyl sulfite; 2-methyl-4,6-diphenyl-1-prop-2-enyl-pyridin-1-ium Openeye Name: 1-allyl-2-methyl-4,6-diphenyl-pyridin-1-ium; carboxymethyl sulfite CAS Name: carboxymethyl sulfite; 2-methyl-4,6-diphenyl-1-prop-2-enylpyridin-1-ium IUPAC Name: carboxymethyl sulfite; 2-methyl-4,6-diphenyl-1-prop-2-enylpyridin-1-ium Traditional Name: 1-allyl-2-methyl-4,6-diphenyl-pyridin-1-ium; carboxymethyl sulfite Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CC=C)C2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)OS(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=[N+]1CC=C)C2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)OS(=O)[O-]

InChI

InChI=1S/C21H20N.C2H4O5S/c1-3-14-22-17(2)15-20(18-10-6-4-7-11-18)16-21(22)19-12-8-5-9-13-19;3-2(4)1-7-8(5)6/h3-13,15-16H,1,14H2,2H3;1H2,(H,3,4)(H,5,6)/q+1;/p-1