4-methyl-N-phenyl-1,4-diazepan-4-ium-1-carbothioamide

Systemtic Name: 4-methyl-N-phenyl-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: 4-methyl-N-phenyl-1,4-diazepan-4-ium-1-carbothioamide CAS Name: 4-methyl-N-phenyl-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: 4-methyl-N-phenyl-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: 4-methyl-N-phenyl-1,4-diazepan-4-ium-1-carbothioamide Formula: C13H20N3S+ MolecularWeight: 250.383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3S/c1-15-8-5-9-16(11-10-15)13(17)14-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,14,17)/p+1