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

Systemtic Name: 2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl 3-methoxybenzoate Openeye Name: 2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl 3-methoxybenzoate CAS Name: 3-methoxybenzoic 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 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid 2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl ester Formula: C22H22N3O3+ MolecularWeight: 376.42838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3/c1-14-9-15(2)19-12-17(13-23)21(25-20(19)10-14)24-7-8-28-22(26)16-5-4-6-18(11-16)27-3/h4-6,9-12H,7-8H2,1-3H3,(H,24,25)/p+1