4-methylbenzenesulfonic acid; 4-(4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine; hydrate

Systemtic Name: 4-methylbenzenesulfonic acid; 4-(4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine; hydrate Openeye Name: 4-methylbenzenesulfonic acid; 4-(4-phenyl-4-piperidyl)thiazol-2-amine; hydrate CAS Name: 4-methylbenzenesulfonic acid; 4-(4-phenyl-4-piperidinyl)-2-thiazolamine; hydrate IUPAC Name: 4-methylbenzenesulfonic acid; 4-(4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine; hydrate Traditional Name: [4-(4-phenyl-4-piperidyl)thiazol-2-yl]amine; tosylic acid; hydrate Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CNCCC1(C2=CC=CC=C2)C3=CSC(=N3)N.O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CNCCC1(C2=CC=CC=C2)C3=CSC(=N3)N.O

InChI

InChI=1S/C14H17N3S.C7H8O3S.H2O/c15-13-17-12(10-18-13)14(6-8-16-9-7-14)11-4-2-1-3-5-11;1-6-2-4-7(5-3-6)11(8,9)10;/h1-5,10,16H,6-9H2,(H2,15,17);2-5H,1H3,(H,8,9,10);1H2