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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-methyl-4-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-2-methyl-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-2-methyl-8-(1-piperidin-1-iumylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-2-methyl-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(3,4-dimethoxyphenyl)-4-hydroxy-2-methyl-8-(piperidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C24H32NO5+ MolecularWeight: 414.51458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+]3CCCCC3)O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+]3CCCCC3)O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H31NO5/c1-15-22(16-7-10-20(28-2)21(13-16)29-3)23(27)17-8-9-19(26)18(24(17)30-15)14-25-11-5-4-6-12-25/h7,10,13,18,24,27H,4-6,8-9,11-12,14H2,1-3H3/p+1