2-[(2S)-4-(cyclohexylmethyl)-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(cyclohexylmethyl)-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(cyclohexylmethyl)-1-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(cyclohexylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(cyclohexylmethyl)-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(cyclohexylmethyl)-1-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C20H34N3O+ MolecularWeight: 332.50346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CC[NH+](CC2CCO)CC3CCCCC3

Isomeric SMILES

CC1=NC(=CC=C1)CN2CC[NH+](C[C@@H]2CCO)CC3CCCCC3

InChI

InChI=1S/C20H33N3O/c1-17-6-5-9-19(21-17)15-23-12-11-22(16-20(23)10-13-24)14-18-7-3-2-4-8-18/h5-6,9,18,20,24H,2-4,7-8,10-16H2,1H3/p+1/t20-/m0/s1