ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-m-anisyl-1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H30NO3S+ MolecularWeight: 388.5435

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(S2)C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(S2)C)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H29NO3S/c1-4-26-21(24)22(15-18-6-5-7-19(14-18)25-3)10-12-23(13-11-22)16-20-9-8-17(2)27-20/h5-9,14H,4,10-13,15-16H2,1-3H3/p+1