2-[(2S)-4-cyclohexyl-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-cyclohexyl-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-cyclohexyl-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-cyclohexyl-1-(3-phenylpropyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-cyclohexyl-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-cyclohexyl-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Formula: C21H35N2O+ MolecularWeight: 331.5154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(C(C2)CCO)CCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN([C@H](C2)CCO)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H34N2O/c24-17-13-21-18-23(20-11-5-2-6-12-20)16-15-22(21)14-7-10-19-8-3-1-4-9-19/h1,3-4,8-9,20-21,24H,2,5-7,10-18H2/p+1/t21-/m0/s1