5,7-dimethyl-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 5,7-dimethyl-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5,7-dimethyl-chromen-2-one CAS Name: 5,7-dimethyl-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5,7-dimethylchromen-2-one Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5,7-dimethyl-coumarin Formula: C24H28NO2+ MolecularWeight: 362.48462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCC(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCC(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H27NO2/c1-17-12-18(2)24-21(15-23(26)27-22(24)13-17)16-25-10-8-20(9-11-25)14-19-6-4-3-5-7-19/h3-7,12-13,15,20H,8-11,14,16H2,1-2H3/p+1