4-(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane-1-carbothioamide Openeye Name: 4-(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)-N-[[(2R)-2-oxolanyl]methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-diazepane-1-carbothioamide Formula: C23H30N5OS+ MolecularWeight: 424.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=[NH+]C2=C1)N3CCCN(CC3)C(=S)NCC4CCCO4)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=[NH+]C2=C1)N3CCCN(CC3)C(=S)NC[C@H]4CCCO4)C#N)C

InChI

InChI=1S/C23H29N5OS/c1-16-11-17(2)20-13-18(14-24)22(26-21(20)12-16)27-6-4-7-28(9-8-27)23(30)25-15-19-5-3-10-29-19/h11-13,19H,3-10,15H2,1-2H3,(H,25,30)/p+1/t19-/m1/s1