2-[(2S)-4-[(6-chloranylquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(6-chloranylquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(6-chloro-2-quinolyl)methyl]-1-isopentyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(6-chloro-2-quinolinyl)methyl]-1-(3-methylbutyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(6-chloroquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(6-chloro-2-quinolyl)methyl]-1-isoamyl-piperazin-1-ium-2-yl]ethanol Formula: C21H31ClN3O+ MolecularWeight: 376.94334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCN(CC1CCO)CC2=NC3=C(C=C2)C=C(C=C3)Cl

Isomeric SMILES

CC(C)CC[NH+]1CCN(C[C@@H]1CCO)CC2=NC3=C(C=C2)C=C(C=C3)Cl

InChI

InChI=1S/C21H30ClN3O/c1-16(2)7-9-25-11-10-24(15-20(25)8-12-26)14-19-5-3-17-13-18(22)4-6-21(17)23-19/h3-6,13,16,20,26H,7-12,14-15H2,1-2H3/p+1/t20-/m0/s1