4-[(5-chloranylthiophen-2-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-chloranylthiophen-2-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-thienyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-thiophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chlorothiophen-2-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[(5-chloro-2-thienyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carboxamide Formula: C18H21ClN3O3S+ MolecularWeight: 394.89564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H20ClN3O3S/c19-17-4-2-14(26-17)12-21-5-7-22(8-6-21)18(23)20-13-1-3-15-16(11-13)25-10-9-24-15/h1-4,11H,5-10,12H2,(H,20,23)/p+1