N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carboxamide Formula: C18H22Cl2N3O3S+ MolecularWeight: 431.35658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)Cl)OC

InChI

InChI=1S/C18H21Cl2N3O3S/c1-25-15-10-16(26-2)14(9-13(15)19)21-18(24)23-7-5-22(6-8-23)11-12-3-4-17(20)27-12/h3-4,9-10H,5-8,11H2,1-2H3,(H,21,24)/p+1