4,7-dimethyl-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-5-oxidanyl-chromen-2-one

Systemtic Name: 4,7-dimethyl-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-5-oxidanyl-chromen-2-one Openeye Name: 5-hydroxy-4,7-dimethyl-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 5-hydroxy-4,7-dimethyl-6-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 5-hydroxy-4,7-dimethyl-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 5-hydroxy-4,7-dimethyl-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C18H24NO3+ MolecularWeight: 302.38806

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C3=C(C=C2C)OC(=O)C=C3C)O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C3=C(C=C2C)OC(=O)C=C3C)O

InChI

InChI=1S/C18H23NO3/c1-11-5-4-6-19(9-11)10-14-12(2)7-15-17(18(14)21)13(3)8-16(20)22-15/h7-8,11,21H,4-6,9-10H2,1-3H3/p+1/t11-/m0/s1