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

Systemtic Name: propyl 2-methyl-3-[(2-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanyl-quinolin-1-ium-6-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H30N2O3+2 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-4-11-26-21(25)16-8-9-19-17(12-16)20(24)18(15(3)22-19)13-23-10-6-5-7-14(23)2/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,22,24)/p+2