ethyl (3S)-1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(2,4-dimethoxy-3-methyl-benzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H28NO4+ MolecularWeight: 322.41922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=C(C(=C(C=C2)OC)C)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=C(C(=C(C=C2)OC)C)OC

InChI

InChI=1S/C18H27NO4/c1-5-23-18(20)15-7-6-10-19(12-15)11-14-8-9-16(21-3)13(2)17(14)22-4/h8-9,15H,5-7,10-12H2,1-4H3/p+1/t15-/m0/s1