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

Systemtic Name: methyl 3-[5-[[4-(2-methoxyphenyl)piperidin-1-ium-1-yl]methyl]furan-2-yl]thiophene-2-carboxylate Openeye Name: methyl 3-[5-[[4-(2-methoxyphenyl)piperidin-1-ium-1-yl]methyl]-2-furyl]thiophene-2-carboxylate CAS Name: 3-[5-[[4-(2-methoxyphenyl)-1-piperidin-1-iumyl]methyl]-2-furanyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[5-[[4-(2-methoxyphenyl)piperidin-1-ium-1-yl]methyl]furan-2-yl]thiophene-2-carboxylate Traditional Name: 3-[5-[[4-(2-methoxyphenyl)piperidin-1-ium-1-yl]methyl]-2-furyl]thiophene-2-carboxylic acid methyl ester Formula: C23H26NO4S+ MolecularWeight: 412.52184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CC[NH+](CC2)CC3=CC=C(O3)C4=C(SC=C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1C2CC[NH+](CC2)CC3=CC=C(O3)C4=C(SC=C4)C(=O)OC

InChI

InChI=1S/C23H25NO4S/c1-26-20-6-4-3-5-18(20)16-9-12-24(13-10-16)15-17-7-8-21(28-17)19-11-14-29-22(19)23(25)27-2/h3-8,11,14,16H,9-10,12-13,15H2,1-2H3/p+1