ethyl 2-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[(4-methoxycarbonyl-1-piperidin-1-iumyl)methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[(4-carbomethoxypiperidin-1-ium-1-yl)methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3CCC(CC3)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3CCC(CC3)C(=O)OC)C

InChI

InChI=1S/C21H26N2O4/c1-4-27-21(25)19-14(2)16-7-5-6-8-17(16)22-18(19)13-23-11-9-15(10-12-23)20(24)26-3/h5-8,15H,4,9-13H2,1-3H3/p+1