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2-[(2S)-1-cyclopentyl-4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol
2-[(2S)-1-cyclopentyl-4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol
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Descriptors Computed from Structure
Canonical SMILES:
COC1=C(C=C(C=C1)CN2CC[NH+](C(C2)CCO)C3CCCC3)OC
Isomeric SMILES
COC1=C(C=C(C=C1)CN2CC[NH+]([C@H](C2)CCO)C3CCCC3)OC
InChI
InChI=1S/C20H32N2O3/c1-24-19-8-7-16(13-20(19)25-2)14-21-10-11-22(17-5-3-4-6-17)18(15-21)9-12-23/h7-8,13,17-18,23H,3-6,9-12,14-15H2,1-2H3/p+1/t18-/m0/s1
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