(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[[(3S)-3-methyl-1-oxidanylidene-4H-isochromen-3-yl]carbonyl]azanium

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[[(3S)-3-methyl-1-oxidanylidene-4H-isochromen-3-yl]carbonyl]azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[(3S)-3-methyl-1-oxo-isochromane-3-carbonyl]ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[[(3S)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-oxomethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[(3S)-3-methyl-1-oxo-4H-isochromene-3-carbonyl]azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[(3S)-1-keto-3-methyl-isochroman-3-carbonyl]ammonium Formula: C21H22NO5+ MolecularWeight: 368.40308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)C3(CC4=CC=CC=C4C(=O)O3)C)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)[C@@]3(CC4=CC=CC=C4C(=O)O3)C)CC2OC(=C1)O

InChI

InChI=1S/C21H21NO5/c1-12-9-18(23)26-17-10-14(7-8-15(12)17)22-20(25)21(2)11-13-5-3-4-6-16(13)19(24)27-21/h3-6,9,17,23H,7-8,10-11H2,1-2H3/p+1/t17?,21-/m0/s1