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

Systemtic Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-isobutyl-piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(2-methylpropyl)-1-piperazin-4-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-isobutyl-piperazin-4-ium-1-yl]methyl]-4-quinolone Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O2/c1-15(2)12-23-9-8-22(14-17(23)7-10-24)13-16-11-20(25)18-5-3-4-6-19(18)21-16/h3-6,11,15,17,24H,7-10,12-14H2,1-2H3,(H,21,25)/p+1/t17-/m0/s1