[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-(1H-indol-3-yl)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[2-(1H-indol-3-yl)ethylcarbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[2-(1H-indol-3-yl)ethylamino]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-(1H-indol-3-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[2-(1H-indol-3-yl)ethylcarbamoyl]-3-(methylthio)propyl]ammonium Formula: C15H22N3OS+ MolecularWeight: 292.41968

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCC1=CNC2=CC=CC=C21)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)NCCC1=CNC2=CC=CC=C21)[NH3+]

InChI

InChI=1S/C15H21N3OS/c1-20-9-7-13(16)15(19)17-8-6-11-10-18-14-5-3-2-4-12(11)14/h2-5,10,13,18H,6-9,16H2,1H3,(H,17,19)/p+1/t13-/m0/s1