4-(furan-2-ylcarbonyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-(furan-2-ylcarbonyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(furan-2-carbonyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide CAS Name: 4-[2-furanyl(oxo)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(furan-2-carbonyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Traditional Name: 4-(2-furoyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Formula: C17H27N4O3S+ MolecularWeight: 367.48628

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)N2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)N2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C17H26N4O3S/c22-16(15-3-1-12-24-15)20-6-8-21(9-7-20)17(25)18-4-2-5-19-10-13-23-14-11-19/h1,3,12H,2,4-11,13-14H2,(H,18,25)/p+1