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6,8-dimethyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one

6,8-dimethyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name:6,8-dimethyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one
Openeye Name:6,8-dimethyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one
CAS Name:6,8-dimethyl-4-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one
IUPAC Name:6,8-dimethyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one
Traditional Name:6,8-dimethyl-4-(piperidin-1-ium-1-ylmethyl)coumarin
Formula: C17H22NO2+
MolecularWeight: 272.36208
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCCCC3)C


Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCCCC3)C


InChI

InChI=1S/C17H21NO2/c1-12-8-13(2)17-15(9-12)14(10-16(19)20-17)11-18-6-4-3-5-7-18/h8-10H,3-7,11H2,1-2H3/p+1


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