7-methyl-2-oxidanylidene-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]chromen-6-olate

Systemtic Name: 7-methyl-2-oxidanylidene-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]chromen-6-olate Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methyl-2-oxo-chromen-6-olate CAS Name: 7-methyl-2-oxo-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-6-olate IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-methyl-2-oxochromen-6-olate Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-keto-7-methyl-chromen-6-olate Formula: C23H25NO3 MolecularWeight: 363.4495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO3/c1-16-11-22-20(14-21(16)25)19(13-23(26)27-22)15-24-9-7-18(8-10-24)12-17-5-3-2-4-6-17/h2-6,11,13-14,18,25H,7-10,12,15H2,1H3