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2-[(2S)-4-[(3-ethoxyphenyl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol
2-[(2S)-4-[(3-ethoxyphenyl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol
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Descriptors Computed from Structure
Canonical SMILES:
CCOC1=CC=CC(=C1)C[NH+]2CCN(C(C2)CCO)CC3=CC=CC=C3
Isomeric SMILES
CCOC1=CC=CC(=C1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC=C3
InChI
InChI=1S/C22H30N2O2/c1-2-26-22-10-6-9-20(15-22)16-23-12-13-24(21(18-23)11-14-25)17-19-7-4-3-5-8-19/h3-10,15,21,25H,2,11-14,16-18H2,1H3/p+1/t21-/m0/s1
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