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

Systemtic Name: 4-[(5-chloranylthiophen-2-yl)methyl]-N-(4-ethoxyphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-thienyl)methyl]-N-(4-ethoxyphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-thiophenyl)methyl]-N-(4-ethoxyphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chlorothiophen-2-yl)methyl]-N-(4-ethoxyphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[(5-chloro-2-thienyl)methyl]-N-p-phenetyl-piperazin-4-ium-1-carboxamide Formula: C18H23ClN3O2S+ MolecularWeight: 380.91212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C18H22ClN3O2S/c1-2-24-15-5-3-14(4-6-15)20-18(23)22-11-9-21(10-12-22)13-16-7-8-17(19)25-16/h3-8H,2,9-13H2,1H3,(H,20,23)/p+1