4-(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)-N-(3-ethoxypropyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)-N-(3-ethoxypropyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)-N-(3-ethoxypropyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)-N-(3-ethoxypropyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)-N-(3-ethoxypropyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)-N-(3-ethoxypropyl)-1,4-diazepane-1-carbothioamide Formula: C23H32N5OS+ MolecularWeight: 426.59808

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)N1CCCN(CC1)C2=[NH+]C3=CC(=CC(=C3C=C2C#N)C)C

Isomeric SMILES

CCOCCCNC(=S)N1CCCN(CC1)C2=[NH+]C3=CC(=CC(=C3C=C2C#N)C)C

InChI

InChI=1S/C23H31N5OS/c1-4-29-12-5-7-25-23(30)28-9-6-8-27(10-11-28)22-19(16-24)15-20-18(3)13-17(2)14-21(20)26-22/h13-15H,4-12H2,1-3H3,(H,25,30)/p+1