(5,5-dimethyl-3-phenylimino-cyclohexen-1-yl)-phenyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: (5,5-dimethyl-3-phenylimino-cyclohexen-1-yl)-phenyl-azanium; 4-methylbenzenesulfonate Openeye Name: (5,5-dimethyl-3-phenylimino-cyclohexen-1-yl)-phenyl-ammonium; 4-methylbenzenesulfonate CAS Name: (5,5-dimethyl-3-phenylimino-1-cyclohexenyl)-phenylammonium; 4-methylbenzenesulfonate IUPAC Name: (5,5-dimethyl-3-phenyliminocyclohexen-1-yl)-phenylazanium; 4-methylbenzenesulfonate Traditional Name: (5,5-dimethyl-3-phenylimino-cyclohexen-1-yl)-phenyl-ammonium tosylate Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(CC(=CC(=NC2=CC=CC=C2)C1)[NH2+]C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(CC(=CC(=NC2=CC=CC=C2)C1)[NH2+]C3=CC=CC=C3)C

InChI

InChI=1S/C20H22N2.C7H8O3S/c1-20(2)14-18(21-16-9-5-3-6-10-16)13-19(15-20)22-17-11-7-4-8-12-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-13,21H,14-15H2,1-2H3;2-5H,1H3,(H,8,9,10)