4-(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)-N-methyl-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)-N-methyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)-N-methyl-1,4-diazepane-1-carbothioamide CAS Name: 4-(3-cyano-7,8-dimethyl-2-quinolin-1-iumyl)-N-methyl-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(3-cyano-7,8-dimethylquinolin-1-ium-2-yl)-N-methyl-1,4-diazepane-1-carbothioamide Traditional Name: 4-(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)-N-methyl-1,4-diazepane-1-carbothioamide Formula: C19H24N5S+ MolecularWeight: 354.49236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)N3CCCN(CC3)C(=S)NC)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)N3CCCN(CC3)C(=S)NC)C#N)C

InChI

InChI=1S/C19H23N5S/c1-13-5-6-15-11-16(12-20)18(22-17(15)14(13)2)23-7-4-8-24(10-9-23)19(25)21-3/h5-6,11H,4,7-10H2,1-3H3,(H,21,25)/p+1