[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(7-chloranyl-1,3-benzodioxol-5-yl)methanone

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(7-chloranyl-1,3-benzodioxol-5-yl)methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(7-chloro-1,3-benzodioxol-5-yl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(7-chloro-1,3-benzodioxol-5-yl)methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(7-chloro-1,3-benzodioxol-5-yl)methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(7-chloro-1,3-benzodioxol-5-yl)methanone Formula: C17H17BrClN2O3S+ MolecularWeight: 444.75048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrClN2O3S/c18-15-2-1-12(25-15)9-20-3-5-21(6-4-20)17(22)11-7-13(19)16-14(8-11)23-10-24-16/h1-2,7-8H,3-6,9-10H2/p+1