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

Systemtic Name: 7-methyl-2-oxidanyl-6-(piperidin-1-ium-1-ylmethyl)-4-propyl-6,7,8,8a-tetrahydrochromen-5-one Openeye Name: 2-hydroxy-7-methyl-6-(piperidin-1-ium-1-ylmethyl)-4-propyl-6,7,8,8a-tetrahydrochromen-5-one CAS Name: 2-hydroxy-7-methyl-6-(1-piperidin-1-iumylmethyl)-4-propyl-6,7,8,8a-tetrahydro-1-benzopyran-5-one IUPAC Name: 2-hydroxy-7-methyl-6-(piperidin-1-ium-1-ylmethyl)-4-propyl-6,7,8,8a-tetrahydrochromen-5-one Traditional Name: 2-hydroxy-7-methyl-6-(piperidin-1-ium-1-ylmethyl)-4-propyl-6,7,8,8a-tetrahydrochromen-5-one Formula: C19H30NO3+ MolecularWeight: 320.4464

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(CC(C(C2=O)C[NH+]3CCCCC3)C)OC(=C1)O

Isomeric SMILES

CCCC1=C2C(CC(C(C2=O)C[NH+]3CCCCC3)C)OC(=C1)O

InChI

InChI=1S/C19H29NO3/c1-3-7-14-11-17(21)23-16-10-13(2)15(19(22)18(14)16)12-20-8-5-4-6-9-20/h11,13,15-16,21H,3-10,12H2,1-2H3/p+1