4-(5-ethyl-1-benzothiophen-3-yl)piperidine; 4-methylbenzenesulfonic acid

Systemtic Name: 4-(5-ethyl-1-benzothiophen-3-yl)piperidine; 4-methylbenzenesulfonic acid Openeye Name: 4-(5-ethylbenzothiophen-3-yl)piperidine; 4-methylbenzenesulfonic acid CAS Name: 4-(5-ethyl-1-benzothiophen-3-yl)piperidine; 4-methylbenzenesulfonic acid IUPAC Name: 4-(5-ethyl-1-benzothiophen-3-yl)piperidine; 4-methylbenzenesulfonic acid Traditional Name: 4-(5-ethylbenzothiophen-3-yl)piperidine; tosylic acid Formula: C22H27NO3S2 MolecularWeight: 417.58468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)SC=C2C3CCNCC3.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC1=CC2=C(C=C1)SC=C2C3CCNCC3.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C15H19NS.C7H8O3S/c1-2-11-3-4-15-13(9-11)14(10-17-15)12-5-7-16-8-6-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,9-10,12,16H,2,5-8H2,1H3;2-5H,1H3,(H,8,9,10)