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

Systemtic Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanone Formula: C20H26N5O+ MolecularWeight: 352.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@H]1CCC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H25N5O/c1-16-7-8-17-5-2-3-6-18(17)25(16)19(26)15-23-11-13-24(14-12-23)20-21-9-4-10-22-20/h2-6,9-10,16H,7-8,11-15H2,1H3/p+1/t16-/m0/s1