2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]methyl]phenol

Systemtic Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-1-yl]methyl]phenol CAS Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-1-yl]methyl]phenol Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)CN2CC[NH+](C(C2)CCO)CC3=CC=CC(=N3)C

Isomeric SMILES

CCOC1=CC=CC(=C1O)CN2CC[NH+]([C@H](C2)CCO)CC3=CC=CC(=N3)C

InChI

InChI=1S/C22H31N3O3/c1-3-28-21-9-5-7-18(22(21)27)14-24-11-12-25(20(16-24)10-13-26)15-19-8-4-6-17(2)23-19/h4-9,20,26-27H,3,10-16H2,1-2H3/p+1/t20-/m0/s1