methyl 2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1CC[NH+](CC1)CCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H26N2O3S/c1-15-8-11-23(12-9-15)13-10-18(24)22-20-19(21(25)26-2)17(14-27-20)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,22,24)/p+1