2-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1-piperazin-4-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-1-yl]methyl]-4-quinolone Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCN(CC2CCO)CC3=CC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCN(C[C@@H]2CCO)CC3=CC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H28N4O2/c1-17-5-4-6-18(24-17)15-27-11-10-26(16-20(27)9-12-28)14-19-13-23(29)21-7-2-3-8-22(21)25-19/h2-8,13,20,28H,9-12,14-16H2,1H3,(H,25,29)/p+1/t20-/m0/s1