4-(3-cyano-7-methyl-quinolin-1-ium-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide

Systemtic Name: 4-(3-cyano-7-methyl-quinolin-1-ium-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide Openeye Name: 4-(3-cyano-7-methyl-quinolin-1-ium-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide CAS Name: 4-(3-cyano-7-methyl-2-quinolin-1-iumyl)-N-(2-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(3-cyano-7-methylquinolin-1-ium-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-(3-cyano-7-methyl-quinolin-1-ium-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide Formula: C22H21FN5O+ MolecularWeight: 390.433443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=[NH+]2)N3CCN(CC3)C(=O)NC4=CC=CC=C4F)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=[NH+]2)N3CCN(CC3)C(=O)NC4=CC=CC=C4F)C#N

InChI

InChI=1S/C22H20FN5O/c1-15-6-7-16-13-17(14-24)21(25-20(16)12-15)27-8-10-28(11-9-27)22(29)26-19-5-3-2-4-18(19)23/h2-7,12-13H,8-11H2,1H3,(H,26,29)/p+1