N-[3-[(3-cyano-7-methyl-quinolin-1-ium-2-yl)amino]propyl]-2,6-bis(fluoranyl)benzamide

Systemtic Name: N-[3-[(3-cyano-7-methyl-quinolin-1-ium-2-yl)amino]propyl]-2,6-bis(fluoranyl)benzamide Openeye Name: N-[3-[(3-cyano-7-methyl-quinolin-1-ium-2-yl)amino]propyl]-2,6-difluoro-benzamide CAS Name: N-[3-[(3-cyano-7-methyl-2-quinolin-1-iumyl)amino]propyl]-2,6-difluorobenzamide IUPAC Name: N-[3-[(3-cyano-7-methylquinolin-1-ium-2-yl)amino]propyl]-2,6-difluorobenzamide Traditional Name: N-[3-[(3-cyano-7-methyl-quinolin-1-ium-2-yl)amino]propyl]-2,6-difluoro-benzamide Formula: C21H19F2N4O+ MolecularWeight: 381.398566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=[NH+]2)NCCCNC(=O)C3=C(C=CC=C3F)F)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=[NH+]2)NCCCNC(=O)C3=C(C=CC=C3F)F)C#N

InChI

InChI=1S/C21H18F2N4O/c1-13-6-7-14-11-15(12-24)20(27-18(14)10-13)25-8-3-9-26-21(28)19-16(22)4-2-5-17(19)23/h2,4-7,10-11H,3,8-9H2,1H3,(H,25,27)(H,26,28)/p+1