methyl 4-[phenyl(propanoyl)amino]-1-(2-thiophen-2-ylethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 4-[phenyl(propanoyl)amino]-1-(2-thiophen-2-ylethyl)piperidin-1-ium-4-carboxylate Openeye Name: methyl 4-(N-propanoylanilino)-1-[2-(2-thienyl)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[N-(1-oxopropyl)anilino]-1-(2-thiophen-2-ylethyl)-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(N-propionylanilino)-1-[2-(2-thienyl)ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CC[NH+](CC2)CCC3=CC=CS3)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CC[NH+](CC2)CCC3=CC=CS3)C(=O)OC

InChI

InChI=1S/C22H28N2O3S/c1-3-20(25)24(18-8-5-4-6-9-18)22(21(26)27-2)12-15-23(16-13-22)14-11-19-10-7-17-28-19/h4-10,17H,3,11-16H2,1-2H3/p+1