2-[(2S)-1-cyclohexyl-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-[(4-methoxy-3-methylphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-2-yl]ethanol Formula: C21H35N2O2+ MolecularWeight: 347.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CC[NH+](C(C2)CCO)C3CCCCC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CC[NH+]([C@H](C2)CCO)C3CCCCC3)OC

InChI

InChI=1S/C21H34N2O2/c1-17-14-18(8-9-21(17)25-2)15-22-11-12-23(20(16-22)10-13-24)19-6-4-3-5-7-19/h8-9,14,19-20,24H,3-7,10-13,15-16H2,1-2H3/p+1/t20-/m0/s1