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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=COC3C(C(=O)CCC3=C2O)C[NH+]4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)OC2=COC3C(C(=O)CCC3=C2O)C[NH+]4CCCCCC4

InChI

InChI=1S/C23H29NO5/c1-27-16-6-8-17(9-7-16)29-21-15-28-23-18(22(21)26)10-11-20(25)19(23)14-24-12-4-2-3-5-13-24/h6-9,15,19,23,26H,2-5,10-14H2,1H3/p+1