(3R)-1-[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-(2-allylsulfanylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-[2-(allylthio)anilino]-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C[NH+]2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C17H23N3O2S/c1-2-10-23-15-8-4-3-7-14(15)19-16(21)12-20-9-5-6-13(11-20)17(18)22/h2-4,7-8,13H,1,5-6,9-12H2,(H2,18,22)(H,19,21)/p+1/t13-/m1/s1