4-methylbenzenesulfonate; [(Z)-3-phenylprop-2-enyl]azanium

Systemtic Name: 4-methylbenzenesulfonate; [(Z)-3-phenylprop-2-enyl]azanium Openeye Name: [(Z)-cinnamyl]ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; [(Z)-3-phenylprop-2-enyl]ammonium IUPAC Name: 4-methylbenzenesulfonate; [(Z)-3-phenylprop-2-enyl]azanium Traditional Name: [(Z)-cinnamyl]ammonium tosylate Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C=CC[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)/C=C\C[NH3+]

InChI

InChI=1S/C9H11N.C7H8O3S/c10-8-4-7-9-5-2-1-3-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-7H,8,10H2;2-5H,1H3,(H,8,9,10)/b7-4-;