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

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(4-methylthiazol-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[4-(4-methyl-2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-(4-methylthiazol-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C18H22N5O4S+ MolecularWeight: 404.46338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)N2CC[NH+](CC2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CSC(=N1)N2CC[NH+](CC2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H21N5O4S/c1-12-10-28-18(19-12)23-6-4-22(5-7-23)9-16(24)21-17(25)20-13-2-3-14-15(8-13)27-11-26-14/h2-3,8,10H,4-7,9,11H2,1H3,(H2,20,21,24,25)/p+1