2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(6-ethoxyquinolin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(6-ethoxyquinolin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(6-ethoxy-2-quinolyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(6-ethoxy-2-quinolinyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(6-ethoxyquinolin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-ethoxybenzyl)-4-[(6-ethoxy-2-quinolyl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCN(C(C3)CCO)CC4=CC=CC=C4OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCN([C@H](C3)CCO)CC4=CC=CC=C4OCC

InChI

InChI=1S/C27H35N3O3/c1-3-32-25-11-12-26-21(17-25)9-10-23(28-26)19-29-14-15-30(24(20-29)13-16-31)18-22-7-5-6-8-27(22)33-4-2/h5-12,17,24,31H,3-4,13-16,18-20H2,1-2H3/p+1/t24-/m0/s1