ethyl 1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-methoxy-2,5-dimethyl-benzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H28NO3+ MolecularWeight: 306.41982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=C(C=C2C)OC)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=C(C=C2C)OC)C

InChI

InChI=1S/C18H27NO3/c1-5-22-18(20)15-6-8-19(9-7-15)12-16-10-14(3)17(21-4)11-13(16)2/h10-11,15H,5-9,12H2,1-4H3/p+1