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

Systemtic Name: 2-[(2S)-4-[(6-chloranylquinolin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(6-chloro-2-quinolyl)methyl]-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(6-chloro-2-quinolinyl)methyl]-1-(1-methyl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(6-chloroquinolin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(6-chloro-2-quinolyl)methyl]-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C22H32ClN4O+ MolecularWeight: 403.96868

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=NC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=NC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C22H31ClN4O/c1-25-9-6-20(7-10-25)27-12-11-26(16-21(27)8-13-28)15-19-4-2-17-14-18(23)3-5-22(17)24-19/h2-5,14,20-21,28H,6-13,15-16H2,1H3/p+1/t21-/m0/s1