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

Systemtic Name: 3-(4-ethylphenyl)propanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: 3-(4-ethylphenyl)propanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [3-(4-ethylphenyl)-1-oxopropyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: 3-(4-ethylphenyl)propanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: 3-(4-ethylphenyl)propanoyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C21H26NO3+ MolecularWeight: 340.43604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)[NH+]=C2CCC3=C(C=C(OC3C2)O)C

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)[NH+]=C2CCC3=C(C=C(OC3C2)O)C

InChI

InChI=1S/C21H25NO3/c1-3-15-4-6-16(7-5-15)8-11-20(23)22-17-9-10-18-14(2)12-21(24)25-19(18)13-17/h4-7,12,19,24H,3,8-11,13H2,1-2H3/p+1