ethyl 1-[(5-ethanoylthiophen-3-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(5-ethanoylthiophen-3-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(5-acetyl-3-thienyl)methyl]-4-benzyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-acetyl-3-thiophenyl)methyl]-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-acetylthiophen-3-yl)methyl]-4-benzylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[(5-acetyl-3-thienyl)methyl]-4-benzyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H28NO3S+ MolecularWeight: 386.52762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CSC(=C2)C(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CSC(=C2)C(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H27NO3S/c1-3-26-21(25)22(14-18-7-5-4-6-8-18)9-11-23(12-10-22)15-19-13-20(17(2)24)27-16-19/h4-8,13,16H,3,9-12,14-15H2,1-2H3/p+1