1-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-[2-(p-tolylmethylsulfanyl)ethylamino]ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[2-[(4-methylphenyl)methylthio]ethylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[2-[(4-methylbenzyl)thio]ethylamino]ethyl]piperidin-1-ium-4-carboxamide Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C18H27N3O2S/c1-14-2-4-15(5-3-14)13-24-11-8-20-17(22)12-21-9-6-16(7-10-21)18(19)23/h2-5,16H,6-13H2,1H3,(H2,19,23)(H,20,22)/p+1