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

Systemtic Name: N-(2,4-dichlorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: N-(2,4-dichlorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide CAS Name: N-(2,4-dichlorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: N-(2,4-dichlorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: N-(2,4-dichlorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Formula: C13H18Cl2N3S+ MolecularWeight: 319.27312

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=S)NC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=S)NC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H17Cl2N3S/c1-17-5-2-6-18(8-7-17)13(19)16-12-4-3-10(14)9-11(12)15/h3-4,9H,2,5-8H2,1H3,(H,16,19)/p+1