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

Systemtic Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-(1-methylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-(1-methyl-4-piperidyl)piperazin-4-ium-1-yl]methyl]phenol CAS Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-(1-methyl-4-piperidinyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-(1-methylpiperidin-4-yl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-(1-methyl-4-piperidyl)piperazin-4-ium-1-yl]methyl]phenol Formula: C21H36N3O3+ MolecularWeight: 378.52884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)CN2CC[NH+](C(C2)CCO)C3CCN(CC3)C

Isomeric SMILES

CCOC1=CC=CC(=C1O)CN2CC[NH+]([C@H](C2)CCO)C3CCN(CC3)C

InChI

InChI=1S/C21H35N3O3/c1-3-27-20-6-4-5-17(21(20)26)15-23-12-13-24(19(16-23)9-14-25)18-7-10-22(2)11-8-18/h4-6,18-19,25-26H,3,7-16H2,1-2H3/p+1/t19-/m0/s1