2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(8-methoxy-2-quinolyl)methyl]-1-(3-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(8-methoxy-2-quinolinyl)methyl]-1-(3-thiophenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(8-methoxy-2-quinolyl)methyl]-1-(3-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N=C(C=C2)C[NH+]3CCN(C(C3)CCO)CC4=CSC=C4

Isomeric SMILES

COC1=CC=CC2=C1N=C(C=C2)C[NH+]3CCN([C@H](C3)CCO)CC4=CSC=C4

InChI

InChI=1S/C22H27N3O2S/c1-27-21-4-2-3-18-5-6-19(23-22(18)21)14-24-9-10-25(20(15-24)7-11-26)13-17-8-12-28-16-17/h2-6,8,12,16,20,26H,7,9-11,13-15H2,1H3/p+1/t20-/m0/s1