1-[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2-allylsulfanylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[2-(allylthio)anilino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C17H24N3O2S+ MolecularWeight: 334.45636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

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