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

Systemtic Name: ethyl 1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-methoxy-2,3-dimethyl-benzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=C(C(=C(C=C2)OC)C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=C(C(=C(C=C2)OC)C)C

InChI

InChI=1S/C18H27NO3/c1-5-22-18(20)15-8-10-19(11-9-15)12-16-6-7-17(21-4)14(3)13(16)2/h6-7,15H,5,8-12H2,1-4H3/p+1