N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]thiophene-2-carboxamide CAS Name: N-[2-[(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)amino]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)amino]ethyl]thiophene-2-carboxamide Traditional Name: N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]thiophene-2-carboxamide Formula: C19H19N4OS+ MolecularWeight: 351.44536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCNC(=O)C3=CC=CS3)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCNC(=O)C3=CC=CS3)C#N)C

InChI

InChI=1S/C19H18N4OS/c1-12-8-13(2)15-10-14(11-20)18(23-16(15)9-12)21-5-6-22-19(24)17-4-3-7-25-17/h3-4,7-10H,5-6H2,1-2H3,(H,21,23)(H,22,24)/p+1