N-[3-[(3-cyano-7-methyl-quinolin-1-ium-2-yl)amino]propyl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[3-[(3-cyano-7-methyl-quinolin-1-ium-2-yl)amino]propyl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[3-[(3-cyano-7-methyl-quinolin-1-ium-2-yl)amino]propyl]-2-(2-thienyl)acetamide CAS Name: N-[3-[(3-cyano-7-methyl-2-quinolin-1-iumyl)amino]propyl]-2-thiophen-2-ylacetamide IUPAC Name: N-[3-[(3-cyano-7-methylquinolin-1-ium-2-yl)amino]propyl]-2-thiophen-2-ylacetamide Traditional Name: N-[3-[(3-cyano-7-methyl-quinolin-1-ium-2-yl)amino]propyl]-2-(2-thienyl)acetamide Formula: C20H21N4OS+ MolecularWeight: 365.47194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=[NH+]2)NCCCNC(=O)CC3=CC=CS3)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=[NH+]2)NCCCNC(=O)CC3=CC=CS3)C#N

InChI

InChI=1S/C20H20N4OS/c1-14-5-6-15-11-16(13-21)20(24-18(15)10-14)23-8-3-7-22-19(25)12-17-4-2-9-26-17/h2,4-6,9-11H,3,7-8,12H2,1H3,(H,22,25)(H,23,24)/p+1