(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propan-1-one Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C[C@@H](C(=O)N1CCCC2=CC=CC=C21)[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H26N4O/c1-17(21(26)25-12-6-8-18-7-2-3-9-19(18)25)23-13-15-24(16-14-23)20-10-4-5-11-22-20/h2-5,7,9-11,17H,6,8,12-16H2,1H3/p+1/t17-/m0/s1