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

Systemtic Name: butyl-[[3-(2-methoxyphenyl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methyl-azanium Openeye Name: butyl-[[4-hydroxy-3-(2-methoxyphenyl)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methyl-ammonium CAS Name: butyl-[[4-hydroxy-3-(2-methoxyphenyl)-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl]-methylammonium IUPAC Name: butyl-[[4-hydroxy-3-(2-methoxyphenyl)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methylazanium Traditional Name: butyl-[[4-hydroxy-7-keto-3-(2-methoxyphenyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methyl-ammonium Formula: C22H30NO4+ MolecularWeight: 372.4779

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1C2C(=C(C(=CO2)C3=CC=CC=C3OC)O)CCC1=O

Isomeric SMILES

CCCC[NH+](C)CC1C2C(=C(C(=CO2)C3=CC=CC=C3OC)O)CCC1=O

InChI

InChI=1S/C22H29NO4/c1-4-5-12-23(2)13-17-19(24)11-10-16-21(25)18(14-27-22(16)17)15-8-6-7-9-20(15)26-3/h6-9,14,17,22,25H,4-5,10-13H2,1-3H3/p+1