N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide; 4-methylbenzenesulfonate

Systemtic Name: N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide; 4-methylbenzenesulfonate Openeye Name: N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide; 4-methylbenzenesulfonate CAS Name: N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide; 4-methylbenzenesulfonate IUPAC Name: N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide; 4-methylbenzenesulfonate Traditional Name: N-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide tosylate Formula: C26H26N2O4S2 MolecularWeight: 494.62564

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=CN(C3=CC=CC=C3)C(=O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C/N(C3=CC=CC=C3)C(=O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C19H19N2OS.C7H8O3S/c1-3-20-17-11-7-8-12-18(17)23-19(20)13-14-21(15(2)22)16-9-5-4-6-10-16;1-6-2-4-7(5-3-6)11(8,9)10/h4-14H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1