tert-butyl 4-(4-methyl-1,3-thiazol-2-yl)-1-(propylamino)piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(4-methyl-1,3-thiazol-2-yl)-1-(propylamino)piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-(4-methylthiazol-2-yl)-1-(propylamino)piperidin-1-ium-1-carboxylate CAS Name: 4-(4-methyl-2-thiazolyl)-1-(propylamino)-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-methyl-1,3-thiazol-2-yl)-1-(propylamino)piperidin-1-ium-1-carboxylate Traditional Name: 4-(4-methylthiazol-2-yl)-1-(propylamino)piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C17H30N3O2S+ MolecularWeight: 340.504

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Descriptors Computed from Structure

Canonical SMILES:

CCCN[N+]1(CCC(CC1)C2=NC(=CS2)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCN[N+]1(CCC(CC1)C2=NC(=CS2)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H30N3O2S/c1-6-9-18-20(16(21)22-17(3,4)5)10-7-14(8-11-20)15-19-13(2)12-23-15/h12,14,18H,6-11H2,1-5H3/q+1