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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[4-methyl-2-(3-thienyl)thiazol-5-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[4-methyl-2-(3-thiophenyl)-5-thiazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone Traditional Name: [4-methyl-2-(3-thienyl)thiazol-5-yl]-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C21H22N3O3S2+ MolecularWeight: 428.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CSC=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=N1)C2=CSC=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N3O3S2/c1-14-19(29-20(22-14)16-4-9-28-12-16)21(25)24-7-5-23(6-8-24)11-15-2-3-17-18(10-15)27-13-26-17/h2-4,9-10,12H,5-8,11,13H2,1H3/p+1