N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-thiophene-3-carboxamide

Systemtic Name: N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-thiophene-3-carboxamide Openeye Name: N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-thiophene-3-carboxamide CAS Name: N-[[1-[2-(4-methoxyphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-N-methyl-3-thiophenecarboxamide IUPAC Name: N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methylthiophene-3-carboxamide Traditional Name: N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-thiophene-3-carboxamide Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CC[NH+](CC1)CCC2=CC=C(C=C2)OC)C(=O)C3=CSC=C3

Isomeric SMILES

CN(CC1CC[NH+](CC1)CCC2=CC=C(C=C2)OC)C(=O)C3=CSC=C3

InChI

InChI=1S/C21H28N2O2S/c1-22(21(24)19-10-14-26-16-19)15-18-8-12-23(13-9-18)11-7-17-3-5-20(25-2)6-4-17/h3-6,10,14,16,18H,7-9,11-13,15H2,1-2H3/p+1