N-(2-chloranyl-4,6-dimethyl-phenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Formula: C15H23ClN3S+ MolecularWeight: 312.88122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CCC[NH+](CC2)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CCC[NH+](CC2)C)C

InChI

InChI=1S/C15H22ClN3S/c1-11-9-12(2)14(13(16)10-11)17-15(20)19-6-4-5-18(3)7-8-19/h9-10H,4-8H2,1-3H3,(H,17,20)/p+1