ethyl 1-[(6-chloranylquinolin-2-yl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(6-chloranylquinolin-2-yl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(6-chloro-2-quinolyl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(6-chloro-2-quinolinyl)methyl]-4-(2-methoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-chloroquinolin-2-yl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[(6-chloro-2-quinolyl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H28ClN2O3+ MolecularWeight: 391.91162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=C(C=C2)C=C(C=C3)Cl)CCOC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=C(C=C2)C=C(C=C3)Cl)CCOC

InChI

InChI=1S/C21H27ClN2O3/c1-3-27-20(25)21(10-13-26-2)8-11-24(12-9-21)15-18-6-4-16-14-17(22)5-7-19(16)23-18/h4-7,14H,3,8-13,15H2,1-2H3/p+1