N-[3-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]propyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]propyl]thiophene-2-carboxamide Openeye Name: N-[3-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]propyl]thiophene-2-carboxamide CAS Name: N-[3-[(3-cyano-7,8-dimethyl-2-quinolin-1-iumyl)amino]propyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[(3-cyano-7,8-dimethylquinolin-1-ium-2-yl)amino]propyl]thiophene-2-carboxamide Traditional Name: N-[3-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]propyl]thiophene-2-carboxamide Formula: C20H21N4OS+ MolecularWeight: 365.47194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)NCCCNC(=O)C3=CC=CS3)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)NCCCNC(=O)C3=CC=CS3)C#N)C

InChI

InChI=1S/C20H20N4OS/c1-13-6-7-15-11-16(12-21)19(24-18(15)14(13)2)22-8-4-9-23-20(25)17-5-3-10-26-17/h3,5-7,10-11H,4,8-9H2,1-2H3,(H,22,24)(H,23,25)/p+1