2-azaniumylethanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: 2-azaniumylethanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: (2-azaniumylacetyl)-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: (2-ammonio-1-oxoethyl)-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: (2-azaniumylacetyl)-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: (2-ammonioacetyl)-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C12H18N2O3+2 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3/c1-7-4-12(16)17-10-5-8(2-3-9(7)10)14-11(15)6-13/h4,10,16H,2-3,5-6,13H2,1H3/p+2