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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-ethyl-4-methyl-thiophen-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-ethyl-4-methyl-2-thienyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(5-ethyl-4-methyl-2-thiophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone Traditional Name: (5-ethyl-4-methyl-2-thienyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S/c1-3-18-14(2)10-19(26-18)20(23)22-8-6-21(7-9-22)12-15-4-5-16-17(11-15)25-13-24-16/h4-5,10-11H,3,6-9,12-13H2,1-2H3/p+1