4-(1,3-benzodioxol-5-ylmethyl)-N-(3-methylbutanethioyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-methylbutanethioyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-methylbutanethioyl)piperazin-4-ium-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-methyl-1-sulfanylidenebutyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-methylbutanethioyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(3-methylbutanethioyl)-4-piperonyl-piperazin-4-ium-1-carboxamide Formula: C18H26N3O3S+ MolecularWeight: 364.48234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=S)NC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CC(=S)NC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H25N3O3S/c1-13(2)9-17(25)19-18(22)21-7-5-20(6-8-21)11-14-3-4-15-16(10-14)24-12-23-15/h3-4,10,13H,5-9,11-12H2,1-2H3,(H,19,22,25)/p+1