(2S)-3-methyl-2-[(7-oxidanyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylazaniumyl]butanoate

Systemtic Name: (2S)-3-methyl-2-[(7-oxidanyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylazaniumyl]butanoate Openeye Name: (2S)-2-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylammonio]-3-methyl-butanoate CAS Name: (2S)-2-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-6-yl)methylammonio]-3-methylbutanoate IUPAC Name: (2S)-2-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylazaniumyl]-3-methylbutanoate Traditional Name: (2S)-2-[(7-hydroxy-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylammonio]-3-methyl-butyrate Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)O

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)O

InChI

InChI=1S/C18H21NO5/c1-9(2)15(17(21)22)19-8-13-14(20)7-6-11-10-4-3-5-12(10)18(23)24-16(11)13/h6-7,9,15,19-20H,3-5,8H2,1-2H3,(H,21,22)/t15-/m0/s1