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

Systemtic Name: 2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl thiophene-2-carboxylate Openeye Name: 2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid 2-[(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)amino]ethyl ester IUPAC Name: 2-[(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)amino]ethyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid 2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl ester Formula: C19H18N3O2S+ MolecularWeight: 352.43012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O2S/c1-12-8-13(2)15-10-14(11-20)18(22-16(15)9-12)21-5-6-24-19(23)17-4-3-7-25-17/h3-4,7-10H,5-6H2,1-2H3,(H,21,22)/p+1