4-methylbenzenesulfonate; 4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-isoindol-2-ium

Systemtic Name: 4-methylbenzenesulfonate; 4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-isoindol-2-ium Openeye Name: 4-methylbenzenesulfonate; 4-[(E)-styryl]isoindolin-2-ium CAS Name: 4-methylbenzenesulfonate; 4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-isoindol-2-ium IUPAC Name: 4-methylbenzenesulfonate; 4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-isoindol-2-ium Traditional Name: 4-[(E)-styryl]isoindolin-2-ium tosylate Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C2=CC=CC(=C2C[NH2+]1)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C2=CC=CC(=C2C[NH2+]1)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C16H15N.C7H8O3S/c1-2-5-13(6-3-1)9-10-14-7-4-8-15-11-17-12-16(14)15;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,17H,11-12H2;2-5H,1H3,(H,8,9,10)/b10-9+;