4-methylbenzenesulfonic acid; 4-(7-methyl-1-benzothiophen-2-yl)-1,2,3,6-tetrahydropyridine

Systemtic Name: 4-methylbenzenesulfonic acid; 4-(7-methyl-1-benzothiophen-2-yl)-1,2,3,6-tetrahydropyridine Openeye Name: 4-methylbenzenesulfonic acid; 4-(7-methylbenzothiophen-2-yl)-1,2,3,6-tetrahydropyridine CAS Name: 4-methylbenzenesulfonic acid; 4-(7-methyl-1-benzothiophen-2-yl)-1,2,3,6-tetrahydropyridine IUPAC Name: 4-methylbenzenesulfonic acid; 4-(7-methyl-1-benzothiophen-2-yl)-1,2,3,6-tetrahydropyridine Traditional Name: 4-(7-methylbenzothiophen-2-yl)-1,2,3,6-tetrahydropyridine; tosylic acid Formula: C21H23NO3S2 MolecularWeight: 401.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=CC2=C1SC(=C2)C3=CCNCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=CC2=C1SC(=C2)C3=CCNCC3

InChI

InChI=1S/C14H15NS.C7H8O3S/c1-10-3-2-4-12-9-13(16-14(10)12)11-5-7-15-8-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,9,15H,6-8H2,1H3;2-5H,1H3,(H,8,9,10)