cyclohexyl-methyl-(3-methyl-1,3-benzothiazol-2-ylidene)azanium; 4-methylbenzenesulfonate

Systemtic Name: cyclohexyl-methyl-(3-methyl-1,3-benzothiazol-2-ylidene)azanium; 4-methylbenzenesulfonate Openeye Name: cyclohexyl-methyl-(3-methyl-1,3-benzothiazol-2-ylidene)ammonium; 4-methylbenzenesulfonate CAS Name: cyclohexyl-methyl-(3-methyl-1,3-benzothiazol-2-ylidene)ammonium; 4-methylbenzenesulfonate IUPAC Name: cyclohexyl-methyl-(3-methyl-1,3-benzothiazol-2-ylidene)azanium; 4-methylbenzenesulfonate Traditional Name: cyclohexyl-methyl-(3-methyl-1,3-benzothiazol-2-ylidene)ammonium tosylate Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=C2SC1=[N+](C)C3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=C2SC1=[N+](C)C3CCCCC3

InChI

InChI=1S/C15H21N2S.C7H8O3S/c1-16(12-8-4-3-5-9-12)15-17(2)13-10-6-7-11-14(13)18-15;1-6-2-4-7(5-3-6)11(8,9)10/h6-7,10-12H,3-5,8-9H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1