[(2S)-1-oxidanylidene-1-[[(2R)-2-oxidanyl-4-(2-oxidanylidenechromen-7-yl)oxy-butyl]amino]propan-2-yl]azanium

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2R)-2-oxidanyl-4-(2-oxidanylidenechromen-7-yl)oxy-butyl]amino]propan-2-yl]azanium Openeye Name: [(1S)-2-[[(2R)-2-hydroxy-4-(2-oxochromen-7-yl)oxy-butyl]amino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[[(2R)-2-hydroxy-4-[(2-oxo-1-benzopyran-7-yl)oxy]butyl]amino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[[(2R)-2-hydroxy-4-(2-oxochromen-7-yl)oxybutyl]amino]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-[[(2R)-2-hydroxy-4-(2-ketochromen-7-yl)oxy-butyl]amino]-2-keto-1-methyl-ethyl]ammonium Formula: C16H21N2O5+ MolecularWeight: 321.34834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(CCOC1=CC2=C(C=C1)C=CC(=O)O2)O)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC[C@@H](CCOC1=CC2=C(C=C1)C=CC(=O)O2)O)[NH3+]

InChI

InChI=1S/C16H20N2O5/c1-10(17)16(21)18-9-12(19)6-7-22-13-4-2-11-3-5-15(20)23-14(11)8-13/h2-5,8,10,12,19H,6-7,9,17H2,1H3,(H,18,21)/p+1/t10-,12+/m0/s1