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

Systemtic Name: 2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isobutyl-4-[(8-methoxy-2-quinolyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(8-methoxy-2-quinolinyl)methyl]-1-(2-methylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isobutyl-4-[(8-methoxy-2-quinolyl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O2/c1-16(2)13-24-11-10-23(15-19(24)9-12-25)14-18-8-7-17-5-4-6-20(26-3)21(17)22-18/h4-8,16,19,25H,9-15H2,1-3H3/p+1/t19-/m0/s1