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

Systemtic Name: (2S)-2-azanyl-1-(2-methyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)-3-phenyl-propan-1-one Openeye Name: (2S)-2-amino-1-(2-methyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)-3-phenyl-propan-1-one CAS Name: (2S)-2-amino-1-(2-methyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)-3-phenyl-1-propanone IUPAC Name: (2S)-2-amino-1-(2-methyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)-3-phenylpropan-1-one Traditional Name: (2S)-2-amino-1-(2-methyl-2-imidazolin-1-ium-1-yl)-3-phenyl-propan-1-one Formula: C13H18N3O+ MolecularWeight: 232.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](CCN1)C(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC1=[N+](CCN1)C(=O)[C@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C13H17N3O/c1-10-15-7-8-16(10)13(17)12(14)9-11-5-3-2-4-6-11/h2-6,12H,7-9,14H2,1H3/p+1/t12-/m0/s1