3-(2-methoxyphenoxy)-2-methyl-4-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 3-(2-methoxyphenoxy)-2-methyl-4-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 4-hydroxy-3-(2-methoxyphenoxy)-2-methyl-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 4-hydroxy-3-(2-methoxyphenoxy)-2-methyl-8-(1-piperidin-1-iumylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 4-hydroxy-3-(2-methoxyphenoxy)-2-methyl-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 4-hydroxy-3-(2-methoxyphenoxy)-2-methyl-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C23H30NO5+ MolecularWeight: 400.488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+]3CCCCC3)O)OC4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+]3CCCCC3)O)OC4=CC=CC=C4OC

InChI

InChI=1S/C23H29NO5/c1-15-22(29-20-9-5-4-8-19(20)27-2)21(26)16-10-11-18(25)17(23(16)28-15)14-24-12-6-3-7-13-24/h4-5,8-9,17,23,26H,3,6-7,10-14H2,1-2H3/p+1