(2S)-2-azaniumyl-5-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumyl]-5-oxidanylidene-pentanoate

Systemtic Name: (2S)-2-azaniumyl-5-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumyl]-5-oxidanylidene-pentanoate Openeye Name: (2S)-2-azaniumyl-5-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonio]-5-oxo-pentanoate CAS Name: (2S)-2-ammonio-5-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonio]-5-oxopentanoate IUPAC Name: (2S)-2-azaniumyl-5-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumyl]-5-oxopentanoate Traditional Name: (2S)-2-ammonio-5-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonio]-5-keto-valerate Formula: C15H21N2O5+ MolecularWeight: 309.33764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)CCC(C(=O)[O-])[NH3+])CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)CC[C@@H](C(=O)[O-])[NH3+])CC2OC(=C1)O

InChI

InChI=1S/C15H20N2O5/c1-8-6-14(19)22-12-7-9(2-3-10(8)12)17-13(18)5-4-11(16)15(20)21/h6,11-12,19H,2-5,7,16H2,1H3,(H,20,21)/p+1/t11-,12?/m0/s1