3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxidanylidene-propanethioamide

Systemtic Name: 3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxidanylidene-propanethioamide Openeye Name: 3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxo-propanethioamide CAS Name: 3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxopropanethioamide IUPAC Name: 3-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-oxopropanethioamide Traditional Name: 3-keto-3-(4-methyl-1,4-diazepan-4-ium-1-yl)thiopropionamide Formula: C9H18N3OS+ MolecularWeight: 216.32372

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)CC(=S)N

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)CC(=S)N

InChI

InChI=1S/C9H17N3OS/c1-11-3-2-4-12(6-5-11)9(13)7-8(10)14/h2-7H2,1H3,(H2,10,14)/p+1