2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(2-pyridylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(2-pyridinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-ethoxybenzyl)-4-(2-pyridylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=CC=CC=N3

Isomeric SMILES

CCOC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=CC=CC=N3

InChI

InChI=1S/C21H29N3O2/c1-2-26-21-9-4-3-7-18(21)15-24-13-12-23(17-20(24)10-14-25)16-19-8-5-6-11-22-19/h3-9,11,20,25H,2,10,12-17H2,1H3/p+1/t20-/m0/s1