2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopentyl-4-[(8-methoxy-2-quinolyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(8-methoxy-2-quinolinyl)methyl]-1-(3-methylbutyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isoamyl-4-[(8-methoxy-2-quinolyl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C22H34N3O2+ MolecularWeight: 372.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCN(CC1CCO)CC2=NC3=C(C=CC=C3OC)C=C2

Isomeric SMILES

CC(C)CC[NH+]1CCN(C[C@@H]1CCO)CC2=NC3=C(C=CC=C3OC)C=C2

InChI

InChI=1S/C22H33N3O2/c1-17(2)9-11-25-13-12-24(16-20(25)10-14-26)15-19-8-7-18-5-4-6-21(27-3)22(18)23-19/h4-8,17,20,26H,9-16H2,1-3H3/p+1/t20-/m0/s1