N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-2-[(2S)-2-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NC2=CC=CC=C2SCC(=O)N

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)NC2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C16H23N3O2S/c1-12-6-4-5-9-19(12)10-16(21)18-13-7-2-3-8-14(13)22-11-15(17)20/h2-3,7-8,12H,4-6,9-11H2,1H3,(H2,17,20)(H,18,21)/p+1/t12-/m0/s1