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

Systemtic Name: 3-(4-cyanophenyl)propanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: 3-(4-cyanophenyl)propanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [3-(4-cyanophenyl)-1-oxopropyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: 3-(4-cyanophenyl)propanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: 3-(4-cyanophenyl)propanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C20H21N2O3+ MolecularWeight: 337.39234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3/c1-13-10-20(24)25-18-11-16(7-8-17(13)18)22-19(23)9-6-14-2-4-15(12-21)5-3-14/h2-5,10,18,24H,6-9,11H2,1H3/p+1