methyl 2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(4-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H29N2O3S+ MolecularWeight: 365.51016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

CC1CC[NH+](CC1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C19H28N2O3S/c1-13-7-10-21(11-8-13)12-9-16(22)20-18-17(19(23)24-2)14-5-3-4-6-15(14)25-18/h13H,3-12H2,1-2H3,(H,20,22)/p+1