4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzenecarbothioamide

Systemtic Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzenecarbothioamide Openeye Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzenecarbothioamide CAS Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzenecarbothioamide IUPAC Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzenecarbothioamide Traditional Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)thiobenzamide Formula: C13H20N3S+ MolecularWeight: 250.383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3S/c1-15-7-2-8-16(10-9-15)12-5-3-11(4-6-12)13(14)17/h3-6H,2,7-10H2,1H3,(H2,14,17)/p+1