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

Systemtic Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(8-methoxy-2-quinolyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(8-methoxy-2-quinolinyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-m-anisyl-4-[(8-methoxy-2-quinolyl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC[NH+](CC2CCO)CC3=NC4=C(C=CC=C4OC)C=C3

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=NC4=C(C=CC=C4OC)C=C3

InChI

InChI=1S/C25H31N3O3/c1-30-23-7-3-5-19(15-23)16-28-13-12-27(18-22(28)11-14-29)17-21-10-9-20-6-4-8-24(31-2)25(20)26-21/h3-10,15,22,29H,11-14,16-18H2,1-2H3/p+1/t22-/m0/s1