4-methylbenzenesulfonate; 4-(phenylmethyl)-1-(1-phenylprop-2-enyl)pyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 4-(phenylmethyl)-1-(1-phenylprop-2-enyl)pyridin-1-ium Openeye Name: 4-benzyl-1-(1-phenylallyl)pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 4-(phenylmethyl)-1-(1-phenylprop-2-enyl)pyridin-1-ium IUPAC Name: 4-benzyl-1-(1-phenylprop-2-enyl)pyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 4-benzyl-1-(1-phenylallyl)pyridin-1-ium tosylate Formula: C28H27NO3S MolecularWeight: 457.58388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C=CC(C1=CC=CC=C1)[N+]2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C=CC(C1=CC=CC=C1)[N+]2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H20N.C7H8O3S/c1-2-21(20-11-7-4-8-12-20)22-15-13-19(14-16-22)17-18-9-5-3-6-10-18;1-6-2-4-7(5-3-6)11(8,9)10/h2-16,21H,1,17H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1