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

Systemtic Name: N-phenyl-4-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: N-phenyl-4-[2-(4-pyridyl)ethyl]-1,4-diazepan-4-ium-1-carbothioamide CAS Name: N-phenyl-4-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: N-phenyl-4-(2-pyridin-4-ylethyl)-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: N-phenyl-4-[2-(4-pyridyl)ethyl]-1,4-diazepan-4-ium-1-carbothioamide Formula: C19H25N4S+ MolecularWeight: 341.4936

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=S)NC2=CC=CC=C2)CCC3=CC=NC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)C(=S)NC2=CC=CC=C2)CCC3=CC=NC=C3

InChI

InChI=1S/C19H24N4S/c24-19(21-18-5-2-1-3-6-18)23-13-4-12-22(15-16-23)14-9-17-7-10-20-11-8-17/h1-3,5-8,10-11H,4,9,12-16H2,(H,21,24)/p+1