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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-bromanylthiophen-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-bromo-2-thienyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(3-bromo-2-thiophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-bromothiophen-2-yl)methanone Traditional Name: (3-bromo-2-thienyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C17H18BrN2O3S+ MolecularWeight: 410.30542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CS4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CS4)Br

InChI

InChI=1S/C17H17BrN2O3S/c18-13-3-8-24-16(13)17(21)20-6-4-19(5-7-20)10-12-1-2-14-15(9-12)23-11-22-14/h1-3,8-9H,4-7,10-11H2/p+1