ethyl 4-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]amino]benzoic acid ethyl ester Formula: C19H23ClN3O3S+ MolecularWeight: 408.92222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C19H22ClN3O3S/c1-2-26-18(24)14-3-5-15(6-4-14)21-19(25)23-11-9-22(10-12-23)13-16-7-8-17(20)27-16/h3-8H,2,9-13H2,1H3,(H,21,25)/p+1