4-methyl-2-[(3-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanylidene-benzo[c]chromen-3-olate

Systemtic Name: 4-methyl-2-[(3-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanylidene-benzo[c]chromen-3-olate Openeye Name: 4-methyl-2-[(3-methylpiperidin-1-ium-1-yl)methyl]-6-oxo-benzo[c]chromen-3-olate CAS Name: 4-methyl-2-[(3-methyl-1-piperidin-1-iumyl)methyl]-6-oxo-3-benzo[c][1]benzopyranolate IUPAC Name: 4-methyl-2-[(3-methylpiperidin-1-ium-1-yl)methyl]-6-oxobenzo[c]chromen-3-olate Traditional Name: 6-keto-4-methyl-2-[(3-methylpiperidin-1-ium-1-yl)methyl]benzo[c]chromen-3-olate Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C(=C3C(=C2)C4=CC=CC=C4C(=O)O3)C)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C(=C3C(=C2)C4=CC=CC=C4C(=O)O3)C)[O-]

InChI

InChI=1S/C21H23NO3/c1-13-6-5-9-22(11-13)12-15-10-18-16-7-3-4-8-17(16)21(24)25-20(18)14(2)19(15)23/h3-4,7-8,10,13,23H,5-6,9,11-12H2,1-2H3