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

Systemtic Name: [3-(4-methoxyphenyl)-2-methyl-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-hydroxy-3-(4-methoxyphenyl)-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methyl-ammonium CAS Name: [4-hydroxy-3-(4-methoxyphenyl)-2-methyl-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[4-hydroxy-3-(4-methoxyphenyl)-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methylazanium Traditional Name: benzyl-[[4-hydroxy-7-keto-3-(4-methoxyphenyl)-2-methyl-5,6,8,8a-tetrahydrochromen-8-yl]methyl]-methyl-ammonium Formula: C26H30NO4+ MolecularWeight: 420.5207

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+](C)CC3=CC=CC=C3)O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+](C)CC3=CC=CC=C3)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H29NO4/c1-17-24(19-9-11-20(30-3)12-10-19)25(29)21-13-14-23(28)22(26(21)31-17)16-27(2)15-18-7-5-4-6-8-18/h4-12,22,26,29H,13-16H2,1-3H3/p+1