2-[(2S)-4-[(6-ethoxyquinolin-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(6-ethoxyquinolin-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(6-ethoxy-2-quinolyl)methyl]-1-(3-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(6-ethoxy-2-quinolinyl)methyl]-1-(3-thiophenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(6-ethoxyquinolin-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(6-ethoxy-2-quinolyl)methyl]-1-(3-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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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=CSC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C=C2)C[NH+]3CCN([C@H](C3)CCO)CC4=CSC=C4

InChI

InChI=1S/C23H29N3O2S/c1-2-28-22-5-6-23-19(13-22)3-4-20(24-23)15-25-9-10-26(21(16-25)7-11-27)14-18-8-12-29-17-18/h3-6,8,12-13,17,21,27H,2,7,9-11,14-16H2,1H3/p+1/t21-/m0/s1