[(2S)-3-(1H-imidazol-5-yl)-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-3-(1H-imidazol-5-yl)-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-1-(1H-imidazol-5-ylmethyl)-2-[(4-methyl-2-oxo-chromen-7-yl)amino]-2-oxo-ethyl]ammonium CAS Name: [(2S)-3-(1H-imidazol-5-yl)-1-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-3-(1H-imidazol-5-yl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-1-(1H-imidazol-5-ylmethyl)-2-keto-2-[(2-keto-4-methyl-chromen-7-yl)amino]ethyl]ammonium Formula: C16H17N4O3+ MolecularWeight: 313.33118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CC3=CN=CN3)[NH3+]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CC3=CN=CN3)[NH3+]

InChI

InChI=1S/C16H16N4O3/c1-9-4-15(21)23-14-6-10(2-3-12(9)14)20-16(22)13(17)5-11-7-18-8-19-11/h2-4,6-8,13H,5,17H2,1H3,(H,18,19)(H,20,22)/p+1/t13-/m0/s1