N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-4-(2-thienylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-(thiophen-2-ylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-4-(2-thenyl)piperazin-4-ium-1-carboxamide Formula: C18H23ClN3O3S+ MolecularWeight: 396.91152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)N2CC[NH+](CC2)CC3=CC=CS3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)N2CC[NH+](CC2)CC3=CC=CS3)Cl)OC

InChI

InChI=1S/C18H22ClN3O3S/c1-24-16-11-17(25-2)15(10-14(16)19)20-18(23)22-7-5-21(6-8-22)12-13-4-3-9-26-13/h3-4,9-11H,5-8,12H2,1-2H3,(H,20,23)/p+1