tert-butyl 1-azanyl-4-(4-methylsulfanylphenyl)piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-azanyl-4-(4-methylsulfanylphenyl)piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-amino-4-(4-methylsulfanylphenyl)piperidin-1-ium-1-carboxylate CAS Name: 1-amino-4-[4-(methylthio)phenyl]-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-amino-4-(4-methylsulfanylphenyl)piperidin-1-ium-1-carboxylate Traditional Name: 1-amino-4-[4-(methylthio)phenyl]piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C17H27N2O2S+ MolecularWeight: 323.47348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC(CC1)C2=CC=C(C=C2)SC)N

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(CC1)C2=CC=C(C=C2)SC)N

InChI

InChI=1S/C17H27N2O2S/c1-17(2,3)21-16(20)19(18)11-9-14(10-12-19)13-5-7-15(22-4)8-6-13/h5-8,14H,9-12,18H2,1-4H3/q+1