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

Systemtic Name: (2S)-2-azanyl-3-methyl-1-(2-methyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)butan-1-one Openeye Name: (2S)-2-amino-3-methyl-1-(2-methyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)butan-1-one CAS Name: (2S)-2-amino-3-methyl-1-(2-methyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)-1-butanone IUPAC Name: (2S)-2-amino-3-methyl-1-(2-methyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)butan-1-one Traditional Name: (2S)-2-amino-3-methyl-1-(2-methyl-2-imidazolin-1-ium-1-yl)butan-1-one Formula: C9H18N3O+ MolecularWeight: 184.25872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17N3O/c1-6(2)8(10)9(13)12-5-4-11-7(12)3/h6,8H,4-5,10H2,1-3H3/p+1/t8-/m0/s1