7-methyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanyl-chromen-2-one

Systemtic Name: 7-methyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanyl-chromen-2-one Openeye Name: 6-hydroxy-7-methyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6-hydroxy-7-methyl-4-[(4-methyl-1-piperidin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-hydroxy-7-methyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-hydroxy-7-methyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]coumarin Formula: C17H22NO3+ MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)O)C

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)O)C

InChI

InChI=1S/C17H21NO3/c1-11-3-5-18(6-4-11)10-13-8-17(20)21-16-7-12(2)15(19)9-14(13)16/h7-9,11,19H,3-6,10H2,1-2H3/p+1