3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: 3-(3,5-dimethylisoxazol-4-yl)propanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [3-(3,5-dimethyl-4-isoxazolyl)-1-oxopropyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: 3-(3,5-dimethylisoxazol-4-yl)propanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C18H23N2O4+ MolecularWeight: 331.38622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)CCC3=C(ON=C3C)C)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)CCC3=C(ON=C3C)C)CC2OC(=C1)O

InChI

InChI=1S/C18H22N2O4/c1-10-8-18(22)23-16-9-13(4-5-14(10)16)19-17(21)7-6-15-11(2)20-24-12(15)3/h8,16,22H,4-7,9H2,1-3H3/p+1