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2-[(2S)-1-cyclopentyl-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol
2-[(2S)-1-cyclopentyl-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol
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Descriptors Computed from Structure
Canonical SMILES:
CC1=C(C=CC(=C1)CN2CC[NH+](C(C2)CCO)C3CCCC3)OC
Isomeric SMILES
CC1=C(C=CC(=C1)CN2CC[NH+]([C@H](C2)CCO)C3CCCC3)OC
InChI
InChI=1S/C20H32N2O2/c1-16-13-17(7-8-20(16)24-2)14-21-10-11-22(18-5-3-4-6-18)19(15-21)9-12-23/h7-8,13,18-19,23H,3-6,9-12,14-15H2,1-2H3/p+1/t19-/m0/s1
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