ethyl 2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanyl-quinolin-1-ium-6-carboxylate

Systemtic Name: ethyl 2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanyl-quinolin-1-ium-6-carboxylate Openeye Name: ethyl 4-hydroxy-2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-6-carboxylate CAS Name: 4-hydroxy-2-methyl-3-[(2-methyl-1-piperidin-1-iumyl)methyl]-6-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-6-carboxylate Traditional Name: 4-hydroxy-2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]quinolin-1-ium-6-carboxylic acid ethyl ester Formula: C20H28N2O3+2 MolecularWeight: 344.44792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)[NH+]=C(C(=C2O)C[NH+]3CCCCC3C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)[NH+]=C(C(=C2O)C[NH+]3CCCCC3C)C

InChI

InChI=1S/C20H26N2O3/c1-4-25-20(24)15-8-9-18-16(11-15)19(23)17(14(3)21-18)12-22-10-6-5-7-13(22)2/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,21,23)/p+2