1,3-benzodioxol-5-yl-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]methanone Formula: C17H18ClN2O3S+ MolecularWeight: 365.85442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H17ClN2O3S/c18-16-4-2-13(24-16)10-19-5-7-20(8-6-19)17(21)12-1-3-14-15(9-12)23-11-22-14/h1-4,9H,5-8,10-11H2/p+1