[(2S)-6-azaniumyl-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-1-oxidanylidene-hexan-2-yl]azanium

Systemtic Name: [(2S)-6-azaniumyl-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-1-oxidanylidene-hexan-2-yl]azanium Openeye Name: [(5S)-5-azaniumyl-6-[(4-methyl-2-oxo-chromen-7-yl)amino]-6-oxo-hexyl]ammonium CAS Name: [(2S)-6-ammonio-1-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-1-oxohexan-2-yl]ammonium IUPAC Name: [(2S)-6-azaniumyl-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxohexan-2-yl]azanium Traditional Name: [(5S)-5-ammonio-6-keto-6-[(2-keto-4-methyl-chromen-7-yl)amino]hexyl]ammonium Formula: C16H23N3O3+2 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCCC[NH3+])[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3/c1-10-8-15(20)22-14-9-11(5-6-12(10)14)19-16(21)13(18)4-2-3-7-17/h5-6,8-9,13H,2-4,7,17-18H2,1H3,(H,19,21)/p+2/t13-/m0/s1