2-[(2S)-4-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-ethoxyphenyl)methyl]-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-ethoxyphenyl)methyl]-1-(1-methyl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3-ethoxybenzyl)-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C21H36N3O2+ MolecularWeight: 362.52944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CN2CC[NH+](C(C2)CCO)C3CCN(CC3)C

Isomeric SMILES

CCOC1=CC=CC(=C1)CN2CC[NH+]([C@H](C2)CCO)C3CCN(CC3)C

InChI

InChI=1S/C21H35N3O2/c1-3-26-21-6-4-5-18(15-21)16-23-12-13-24(20(17-23)9-14-25)19-7-10-22(2)11-8-19/h4-6,15,19-20,25H,3,7-14,16-17H2,1-2H3/p+1/t20-/m0/s1