(3,4-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: (3,4-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(7-hydroxy-3,4-dimethyl-2-oxo-chromen-8-yl)methyl]ammonium CAS Name: (7-hydroxy-3,4-dimethyl-2-oxo-1-benzopyran-8-yl)methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(7-hydroxy-3,4-dimethyl-2-oxochromen-8-yl)methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(7-hydroxy-2-keto-3,4-dimethyl-chromen-8-yl)methyl]ammonium Formula: C24H30N2O3+2 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4)O)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]C3CC[NH+](CC3)CC4=CC=CC=C4)O)C

InChI

InChI=1S/C24H28N2O3/c1-16-17(2)24(28)29-23-20(16)8-9-22(27)21(23)14-25-19-10-12-26(13-11-19)15-18-6-4-3-5-7-18/h3-9,19,25,27H,10-15H2,1-2H3/p+2