N-[2-[(3-cyano-7-methoxy-quinolin-1-ium-2-yl)amino]ethyl]-2,4-bis(fluoranyl)benzamide

Systemtic Name: N-[2-[(3-cyano-7-methoxy-quinolin-1-ium-2-yl)amino]ethyl]-2,4-bis(fluoranyl)benzamide Openeye Name: N-[2-[(3-cyano-7-methoxy-quinolin-1-ium-2-yl)amino]ethyl]-2,4-difluoro-benzamide CAS Name: N-[2-[(3-cyano-7-methoxy-2-quinolin-1-iumyl)amino]ethyl]-2,4-difluorobenzamide IUPAC Name: N-[2-[(3-cyano-7-methoxyquinolin-1-ium-2-yl)amino]ethyl]-2,4-difluorobenzamide Traditional Name: N-[2-[(3-cyano-7-methoxy-quinolin-1-ium-2-yl)amino]ethyl]-2,4-difluoro-benzamide Formula: C20H17F2N4O2+ MolecularWeight: 383.371386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=[NH+]2)NCCNC(=O)C3=C(C=C(C=C3)F)F)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=[NH+]2)NCCNC(=O)C3=C(C=C(C=C3)F)F)C#N

InChI

InChI=1S/C20H16F2N4O2/c1-28-15-4-2-12-8-13(11-23)19(26-18(12)10-15)24-6-7-25-20(27)16-5-3-14(21)9-17(16)22/h2-5,8-10H,6-7H2,1H3,(H,24,26)(H,25,27)/p+1