4,7-dimethyl-6-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanyl-6,7,8,8a-tetrahydrochromen-5-one

Systemtic Name: 4,7-dimethyl-6-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanyl-6,7,8,8a-tetrahydrochromen-5-one Openeye Name: 2-hydroxy-4,7-dimethyl-6-[(4-methylpiperidin-1-ium-1-yl)methyl]-6,7,8,8a-tetrahydrochromen-5-one CAS Name: 2-hydroxy-4,7-dimethyl-6-[(4-methyl-1-piperidin-1-iumyl)methyl]-6,7,8,8a-tetrahydro-1-benzopyran-5-one IUPAC Name: 2-hydroxy-4,7-dimethyl-6-[(4-methylpiperidin-1-ium-1-yl)methyl]-6,7,8,8a-tetrahydrochromen-5-one Traditional Name: 2-hydroxy-4,7-dimethyl-6-[(4-methylpiperidin-1-ium-1-yl)methyl]-6,7,8,8a-tetrahydrochromen-5-one Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2C(CC3C(=C(C=C(O3)O)C)C2=O)C

Isomeric SMILES

CC1CC[NH+](CC1)CC2C(CC3C(=C(C=C(O3)O)C)C2=O)C

InChI

InChI=1S/C18H27NO3/c1-11-4-6-19(7-5-11)10-14-12(2)8-15-17(18(14)21)13(3)9-16(20)22-15/h9,11-12,14-15,20H,4-8,10H2,1-3H3/p+1