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

Systemtic Name: butyl-ethyl-[[3-(2-methoxyphenyl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium Openeye Name: butyl-ethyl-[[4-hydroxy-3-(2-methoxyphenyl)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl]ammonium CAS Name: butyl-ethyl-[[4-hydroxy-3-(2-methoxyphenyl)-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: butyl-ethyl-[[4-hydroxy-3-(2-methoxyphenyl)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium Traditional Name: butyl-ethyl-[[4-hydroxy-7-keto-3-(2-methoxyphenyl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl]ammonium Formula: C23H32NO4+ MolecularWeight: 386.50448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO4/c1-4-6-13-24(5-2)14-18-20(25)12-11-17-22(26)19(15-28-23(17)18)16-9-7-8-10-21(16)27-3/h7-10,15,18,23,26H,4-6,11-14H2,1-3H3/p+1