(2S)-2-azanyl-1-(2-methyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)-4-methylsulfanyl-butan-1-one

Systemtic Name: (2S)-2-azanyl-1-(2-methyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)-4-methylsulfanyl-butan-1-one Openeye Name: (2S)-2-amino-1-(2-methyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)-4-methylsulfanyl-butan-1-one CAS Name: (2S)-2-amino-1-(2-methyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)-4-(methylthio)-1-butanone IUPAC Name: (2S)-2-amino-1-(2-methyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)-4-methylsulfanylbutan-1-one Traditional Name: (2S)-2-amino-1-(2-methyl-2-imidazolin-1-ium-1-yl)-4-(methylthio)butan-1-one Formula: C9H18N3OS+ MolecularWeight: 216.32372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](CCN1)C(=O)C(CCSC)N

Isomeric SMILES

CC1=[N+](CCN1)C(=O)[C@H](CCSC)N

InChI

InChI=1S/C9H17N3OS/c1-7-11-4-5-12(7)9(13)8(10)3-6-14-2/h8H,3-6,10H2,1-2H3/p+1/t8-/m0/s1