6-methyl-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-methyl-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6-methyl-chromen-2-one CAS Name: 6-methyl-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6-methylchromen-2-one Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6-methyl-coumarin Formula: C23H26NO2+ MolecularWeight: 348.45804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25NO2/c1-17-7-8-22-21(13-17)20(15-23(25)26-22)16-24-11-9-19(10-12-24)14-18-5-3-2-4-6-18/h2-8,13,15,19H,9-12,14,16H2,1H3/p+1