N-(4-chlorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide

Systemtic Name: N-(4-chlorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: N-(4-chlorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide CAS Name: N-(4-chlorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: N-(4-chlorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: N-(4-chlorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Formula: C13H19ClN3S+ MolecularWeight: 284.82806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3S/c1-16-7-2-8-17(10-9-16)13(18)15-12-5-3-11(14)4-6-12/h3-6H,2,7-10H2,1H3,(H,15,18)/p+1