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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carboxamide Formula: C17H20Cl2N3O2S+ MolecularWeight: 401.3306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C17H19Cl2N3O2S/c1-24-15-4-2-12(18)10-14(15)20-17(23)22-8-6-21(7-9-22)11-13-3-5-16(19)25-13/h2-5,10H,6-9,11H2,1H3,(H,20,23)/p+1