4-methylbenzenesulfonate; methyl-[phenoxy(phenyl)methylidene]-(phenylmethyl)azanium

Systemtic Name: 4-methylbenzenesulfonate; methyl-[phenoxy(phenyl)methylidene]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[phenoxy(phenyl)methylene]ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; methyl-[phenoxy(phenyl)methylidene]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[phenoxy(phenyl)methylidene]azanium; 4-methylbenzenesulfonate Traditional Name: benzyl-methyl-[phenoxy(phenyl)methylene]ammonium tosylate Formula: C28H27NO4S MolecularWeight: 473.58328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](=C(C1=CC=CC=C1)OC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](=C(C1=CC=CC=C1)OC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H20NO.C7H8O3S/c1-22(17-18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)23-20-15-9-4-10-16-20;1-6-2-4-7(5-3-6)11(8,9)10/h2-16H,17H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1