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2-[(2S)-1-cyclohexyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol
2-[(2S)-1-cyclohexyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol
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Descriptors Computed from Structure
Canonical SMILES:
CC1=NC2=CC=CC=C2N=C1CN3CC[NH+](C(C3)CCO)C4CCCCC4
Isomeric SMILES
CC1=NC2=CC=CC=C2N=C1CN3CC[NH+]([C@H](C3)CCO)C4CCCCC4
InChI
InChI=1S/C22H32N4O/c1-17-22(24-21-10-6-5-9-20(21)23-17)16-25-12-13-26(19(15-25)11-14-27)18-7-3-2-4-8-18/h5-6,9-10,18-19,27H,2-4,7-8,11-16H2,1H3/p+1/t19-/m0/s1
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