N-(3,4-dimethylphenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide

Systemtic Name: N-(3,4-dimethylphenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: N-(3,4-dimethylphenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide CAS Name: N-(3,4-dimethylphenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: N-(3,4-dimethylphenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: N-(3,4-dimethylphenyl)-4-methyl-1,4-diazepan-4-ium-1-carbothioamide Formula: C15H24N3S+ MolecularWeight: 278.43616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3S/c1-12-5-6-14(11-13(12)2)16-15(19)18-8-4-7-17(3)9-10-18/h5-6,11H,4,7-10H2,1-3H3,(H,16,19)/p+1