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

Systemtic Name: 4-(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)-N-(3-ethoxypropyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)-N-(3-ethoxypropyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(3-cyano-7,8-dimethyl-2-quinolin-1-iumyl)-N-(3-ethoxypropyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(3-cyano-7,8-dimethylquinolin-1-ium-2-yl)-N-(3-ethoxypropyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(3-cyano-7,8-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=C(C=CC(=C3C)C)C=C2C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5OS/c1-4-29-14-5-9-25-23(30)28-11-6-10-27(12-13-28)22-20(16-24)15-19-8-7-17(2)18(3)21(19)26-22/h7-8,15H,4-6,9-14H2,1-3H3,(H,25,30)/p+1