4-[(5-chloranylthiophen-2-yl)methyl]-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-chloranylthiophen-2-yl)methyl]-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-thienyl)methyl]-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-thiophenyl)methyl]-N-(3,4-dimethoxyphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chlorothiophen-2-yl)methyl]-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[(5-chloro-2-thienyl)methyl]-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide Formula: C18H23ClN3O3S+ MolecularWeight: 396.91152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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