[3-(4-chlorophenyl)-2-methyl-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-azanium

Systemtic Name: [3-(4-chlorophenyl)-2-methyl-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(4-chlorophenyl)-4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(4-chlorophenyl)-4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(4-chlorophenyl)-4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethylazanium Traditional Name: [3-(4-chlorophenyl)-4-hydroxy-7-keto-2-methyl-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-ammonium Formula: C21H27ClNO3+ MolecularWeight: 376.89698

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1C2C(=C(C(=C(O2)C)C3=CC=C(C=C3)Cl)O)CCC1=O

Isomeric SMILES

CC[NH+](CC)CC1C2C(=C(C(=C(O2)C)C3=CC=C(C=C3)Cl)O)CCC1=O

InChI

InChI=1S/C21H26ClNO3/c1-4-23(5-2)12-17-18(24)11-10-16-20(25)19(13(3)26-21(16)17)14-6-8-15(22)9-7-14/h6-9,17,21,25H,4-5,10-12H2,1-3H3/p+1