2-[(2S)-4-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(cyclohexylmethyl)-1-m-anisyl-piperazin-4-ium-2-yl]ethanol Formula: C21H35N2O2+ MolecularWeight: 347.5148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC[NH+](CC2CCO)CC3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3CCCCC3

InChI

InChI=1S/C21H34N2O2/c1-25-21-9-5-8-19(14-21)16-23-12-11-22(17-20(23)10-13-24)15-18-6-3-2-4-7-18/h5,8-9,14,18,20,24H,2-4,6-7,10-13,15-17H2,1H3/p+1/t20-/m0/s1