3-(2,3-dimethoxyphenyl)propanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: 3-(2,3-dimethoxyphenyl)propanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: 3-(2,3-dimethoxyphenyl)propanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [3-(2,3-dimethoxyphenyl)-1-oxopropyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: 3-(2,3-dimethoxyphenyl)propanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: 3-(2,3-dimethoxyphenyl)propanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C21H26NO5+ MolecularWeight: 372.43484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)CCC3=C(C(=CC=C3)OC)OC)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)CCC3=C(C(=CC=C3)OC)OC)CC2OC(=C1)O

InChI

InChI=1S/C21H25NO5/c1-13-11-20(24)27-18-12-15(8-9-16(13)18)22-19(23)10-7-14-5-4-6-17(25-2)21(14)26-3/h4-6,11,18,24H,7-10,12H2,1-3H3/p+1