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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-bromanyl-5-ethyl-thiophen-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-bromo-5-ethyl-2-thienyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(4-bromo-5-ethyl-2-thiophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-bromo-5-ethylthiophen-2-yl)methanone Traditional Name: (4-bromo-5-ethyl-2-thienyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C19H22BrN2O3S+ MolecularWeight: 438.35858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C19H21BrN2O3S/c1-2-17-14(20)10-18(26-17)19(23)22-7-5-21(6-8-22)11-13-3-4-15-16(9-13)25-12-24-15/h3-4,9-10H,2,5-8,11-12H2,1H3/p+1