2-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-isopropyl-piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-1-piperazin-4-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-ylpiperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-isopropyl-piperazin-4-ium-1-yl]methyl]-4-quinolone Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)CC2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C19H27N3O2/c1-14(2)22-9-8-21(13-16(22)7-10-23)12-15-11-19(24)17-5-3-4-6-18(17)20-15/h3-6,11,14,16,23H,7-10,12-13H2,1-2H3,(H,20,24)/p+1/t16-/m0/s1