[(10aS)-6,6-dimethyl-3-(2-methyloctan-2-yl)-1-oxidanyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-9-yl]methyl 2-(4-methylmorpholin-4-ium-4-yl)ethanoate

Systemtic Name: [(10aS)-6,6-dimethyl-3-(2-methyloctan-2-yl)-1-oxidanyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-9-yl]methyl 2-(4-methylmorpholin-4-ium-4-yl)ethanoate Openeye Name: [(10aS)-3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-9-yl]methyl 2-(4-methylmorpholin-4-ium-4-yl)acetate CAS Name: 2-(4-methyl-4-morpholin-4-iumyl)acetic acid [(10aS)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c][1]benzopyran-9-yl]methyl ester IUPAC Name: [(10aS)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-9-yl]methyl 2-(4-methylmorpholin-4-ium-4-yl)acetate Traditional Name: 2-(4-methylmorpholin-4-ium-4-yl)acetic acid [(10aS)-3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-9-yl]methyl ester Formula: C32H50NO5+ MolecularWeight: 528.7431

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC2=C(C3CC(=CCC3C(O2)(C)C)COC(=O)C[N+]4(CCOCC4)C)C(=C1)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC2=C([C@H]3CC(=CCC3C(O2)(C)C)COC(=O)C[N+]4(CCOCC4)C)C(=C1)O

InChI

InChI=1S/C32H49NO5/c1-7-8-9-10-13-31(2,3)24-19-27(34)30-25-18-23(11-12-26(25)32(4,5)38-28(30)20-24)22-37-29(35)21-33(6)14-16-36-17-15-33/h11,19-20,25-26H,7-10,12-18,21-22H2,1-6H3/p+1/t25-,26?/m0/s1