ethyl 1-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-chloro-4-hydroxy-phenyl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-chloro-4-hydroxyphenyl)methyl]-4-(2-methoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-chloro-4-hydroxyphenyl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-chloro-4-hydroxy-benzyl)-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H27ClNO4+ MolecularWeight: 356.86428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClNO4/c1-3-24-17(22)18(8-11-23-2)6-9-20(10-7-18)13-14-4-5-16(21)15(19)12-14/h4-5,12,21H,3,6-11,13H2,1-2H3/p+1