ethyl 2-[2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H23BrN3O3S2+ MolecularWeight: 473.42752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=C(S3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C18H22BrN3O3S2/c1-2-25-18(24)14-5-10-26-17(14)20-16(23)12-22-8-6-21(7-9-22)11-13-3-4-15(19)27-13/h3-5,10H,2,6-9,11-12H2,1H3,(H,20,23)/p+1