ethyl 4-(4-bromophenyl)-2-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-(2-piperidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H24BrN2O3S+ MolecularWeight: 452.38516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C20H23BrN2O3S/c1-2-26-20(25)18-16(14-6-8-15(21)9-7-14)13-27-19(18)22-17(24)12-23-10-4-3-5-11-23/h6-9,13H,2-5,10-12H2,1H3,(H,22,24)/p+1