4-(4-methyl-1,4-diazepan-4-ium-1-yl)butanethioamide

Systemtic Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)butanethioamide Openeye Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)butanethioamide CAS Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)butanethioamide IUPAC Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)butanethioamide Traditional Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)thiobutyramide Formula: C10H22N3S+ MolecularWeight: 216.36678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H21N3S/c1-12-5-3-7-13(9-8-12)6-2-4-10(11)14/h2-9H2,1H3,(H2,11,14)/p+1