[(2R)-2-azaniumylpropanoyl]-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: [(2R)-2-azaniumylpropanoyl]-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: [(2R)-2-azaniumylpropanoyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [(2R)-2-ammonio-1-oxopropyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: [(2R)-2-azaniumylpropanoyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: [(2R)-2-ammoniopropanoyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C13H20N2O3+2 MolecularWeight: 252.3095

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-7-5-12(16)18-11-6-9(3-4-10(7)11)15-13(17)8(2)14/h5,8,11,16H,3-4,6,14H2,1-2H3/p+2/t8-,11?/m1/s1