2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]-7-methoxy-quinolin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]-7-methoxy-quinolin-1-ium-3-carbonitrile Openeye Name: 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-7-methoxy-quinolin-1-ium-3-carbonitrile CAS Name: 2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]-7-methoxy-3-quinolin-1-iumcarbonitrile IUPAC Name: 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-7-methoxyquinolin-1-ium-3-carbonitrile Traditional Name: 2-[4-(2-fluorobenzoyl)piperazino]-7-methoxy-quinolin-1-ium-3-carbonitrile Formula: C22H20FN4O2+ MolecularWeight: 391.418203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=[NH+]2)N3CCN(CC3)C(=O)C4=CC=CC=C4F)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=[NH+]2)N3CCN(CC3)C(=O)C4=CC=CC=C4F)C#N

InChI

InChI=1S/C22H19FN4O2/c1-29-17-7-6-15-12-16(14-24)21(25-20(15)13-17)26-8-10-27(11-9-26)22(28)18-4-2-3-5-19(18)23/h2-7,12-13H,8-11H2,1H3/p+1