N-methyl-4-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium-1-carbothioamide

Systemtic Name: N-methyl-4-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: N-methyl-4-[2-(4-pyridyl)ethyl]-1,4-diazepan-4-ium-1-carbothioamide CAS Name: N-methyl-4-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: N-methyl-4-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: N-methyl-4-[2-(4-pyridyl)ethyl]-1,4-diazepan-4-ium-1-carbothioamide Formula: C14H23N4S+ MolecularWeight: 279.42422

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCC[NH+](CC1)CCC2=CC=NC=C2

Isomeric SMILES

CNC(=S)N1CCC[NH+](CC1)CCC2=CC=NC=C2

InChI

InChI=1S/C14H22N4S/c1-15-14(19)18-9-2-8-17(11-12-18)10-5-13-3-6-16-7-4-13/h3-4,6-7H,2,5,8-12H2,1H3,(H,15,19)/p+1