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

Systemtic Name: 4-(6-ethyl-1-benzothiophen-2-yl)-1,2,3,6-tetrahydropyridine; 4-methylbenzenesulfonic acid Openeye Name: 4-(6-ethylbenzothiophen-2-yl)-1,2,3,6-tetrahydropyridine; 4-methylbenzenesulfonic acid CAS Name: 4-(6-ethyl-1-benzothiophen-2-yl)-1,2,3,6-tetrahydropyridine; 4-methylbenzenesulfonic acid IUPAC Name: 4-(6-ethyl-1-benzothiophen-2-yl)-1,2,3,6-tetrahydropyridine; 4-methylbenzenesulfonic acid Traditional Name: 4-(6-ethylbenzothiophen-2-yl)-1,2,3,6-tetrahydropyridine; tosylic acid Formula: C22H25NO3S2 MolecularWeight: 415.5688

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C=C(S2)C3=CCNCC3.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC1=CC2=C(C=C1)C=C(S2)C3=CCNCC3.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C15H17NS.C7H8O3S/c1-2-11-3-4-13-10-15(17-14(13)9-11)12-5-7-16-8-6-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,9-10,16H,2,6-8H2,1H3;2-5H,1H3,(H,8,9,10)