ethyl 4-(2-methoxyethyl)-1-[(4-oxidanylidene-1H-quinolin-2-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(2-methoxyethyl)-1-[(4-oxidanylidene-1H-quinolin-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(2-methoxyethyl)-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-(2-methoxyethyl)-1-[(4-oxo-1H-quinolin-2-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methoxyethyl)-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(4-keto-1H-quinolin-2-yl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H29N2O4+ MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=O)C3=CC=CC=C3N2)CCOC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=O)C3=CC=CC=C3N2)CCOC

InChI

InChI=1S/C21H28N2O4/c1-3-27-20(25)21(10-13-26-2)8-11-23(12-9-21)15-16-14-19(24)17-6-4-5-7-18(17)22-16/h4-7,14H,3,8-13,15H2,1-2H3,(H,22,24)/p+1