4-[(3-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate

Systemtic Name: 4-[(3-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate Openeye Name: 4-[(3-methylpiperidin-1-ium-1-yl)methyl]-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate CAS Name: 4-[(3-methyl-1-piperidin-1-iumyl)methyl]-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-olate IUPAC Name: 4-[(3-methylpiperidin-1-ium-1-yl)methyl]-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate Traditional Name: 6-keto-4-[(3-methylpiperidin-1-ium-1-yl)methyl]-7,8,9,10-tetrahydrobenzo[c]chromen-3-olate Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C4=C3CCCC4)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C4=C3CCCC4)[O-]

InChI

InChI=1S/C20H25NO3/c1-13-5-4-10-21(11-13)12-17-18(22)9-8-15-14-6-2-3-7-16(14)20(23)24-19(15)17/h8-9,13,22H,2-7,10-12H2,1H3