ethyl 1-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]-4-(cyclopropylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-chloro-4-hydroxy-5-methoxy-benzyl)-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H29ClNO4+ MolecularWeight: 382.90156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=C(C(=C2)Cl)O)OC)CC3CC3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=C(C(=C2)Cl)O)OC)CC3CC3

InChI

InChI=1S/C20H28ClNO4/c1-3-26-19(24)20(12-14-4-5-14)6-8-22(9-7-20)13-15-10-16(21)18(23)17(11-15)25-2/h10-11,14,23H,3-9,12-13H2,1-2H3/p+1