N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-5-chloranyl-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-5-chloranyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-5-chloro-phenyl]thiophene-2-carboxamide CAS Name: N-[2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-5-chlorophenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-5-chlorophenyl]thiophene-2-carboxamide Traditional Name: N-[5-chloro-2-(4-piperonylpiperazin-4-ium-1-carbonyl)phenyl]thiophene-2-carboxamide Formula: C24H23ClN3O4S+ MolecularWeight: 484.97512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=C(C=C4)Cl)NC(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=C(C=C4)Cl)NC(=O)C5=CC=CS5

InChI

InChI=1S/C24H22ClN3O4S/c25-17-4-5-18(19(13-17)26-23(29)22-2-1-11-33-22)24(30)28-9-7-27(8-10-28)14-16-3-6-20-21(12-16)32-15-31-20/h1-6,11-13H,7-10,14-15H2,(H,26,29)/p+1