3-[[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]carbothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-1-piperidinyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C19H29N4O3S+ MolecularWeight: 393.52356

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H28N4O3S/c1-22(2)9-3-8-20-19(27)23-10-6-14(7-11-23)18(24)21-15-4-5-16-17(12-15)26-13-25-16/h4-5,12,14H,3,6-11,13H2,1-2H3,(H,20,27)(H,21,24)/p+1