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

Systemtic Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(8-methoxy-2-quinolyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(8-methoxy-2-quinolinyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-ethoxybenzyl)-4-[(8-methoxy-2-quinolyl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C26H34N3O3+ MolecularWeight: 436.56646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=NC4=C(C=CC=C4OC)C=C3

Isomeric SMILES

CCOC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=NC4=C(C=CC=C4OC)C=C3

InChI

InChI=1S/C26H33N3O3/c1-3-32-24-9-5-4-7-21(24)17-29-15-14-28(19-23(29)13-16-30)18-22-12-11-20-8-6-10-25(31-2)26(20)27-22/h4-12,23,30H,3,13-19H2,1-2H3/p+1/t23-/m0/s1