[(2S)-1-[ethyl-(phenylmethyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[ethyl-(phenylmethyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[benzyl(ethyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[ethyl-(phenylmethyl)amino]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[benzyl(ethyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[benzyl(ethyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C14H23N2OS+ MolecularWeight: 267.41022

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C(CCSC)[NH3+]

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C14H22N2OS/c1-3-16(11-12-7-5-4-6-8-12)14(17)13(15)9-10-18-2/h4-8,13H,3,9-11,15H2,1-2H3/p+1/t13-/m0/s1