1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanone Formula: C19H24N5O+ MolecularWeight: 338.42676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H23N5O/c25-18(24-10-3-6-16-5-1-2-7-17(16)24)15-22-11-13-23(14-12-22)19-20-8-4-9-21-19/h1-2,4-5,7-9H,3,6,10-15H2/p+1