2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-methylthiazol-2-yl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(4-methyl-2-thiazolyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide Traditional Name: N-(4-methylthiazol-2-yl)-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H22N4O3S/c1-13-11-26-18(19-13)20-17(23)10-22-6-4-21(5-7-22)9-14-2-3-15-16(8-14)25-12-24-15/h2-3,8,11H,4-7,9-10,12H2,1H3,(H,19,20,23)/p+1