N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1,3-benzothiazol-2-yl]ethanamide

Systemtic Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1,3-benzothiazol-2-yl]ethanamide Openeye Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-1,3-benzothiazol-2-yl]acetamide CAS Name: N-[6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1,3-benzothiazol-2-yl]acetamide IUPAC Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-1,3-benzothiazol-2-yl]acetamide Traditional Name: N-[6-(4-piperonylpiperazin-4-ium-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide Formula: C22H23N4O4S+ MolecularWeight: 439.50742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22N4O4S/c1-14(27)23-22-24-17-4-3-16(11-20(17)31-22)21(28)26-8-6-25(7-9-26)12-15-2-5-18-19(10-15)30-13-29-18/h2-5,10-11H,6-9,12-13H2,1H3,(H,23,24,27)/p+1