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

Systemtic Name: 2-[(2S)-4-cycloheptyl-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-cycloheptyl-1-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-cycloheptyl-1-[(6-methyl-2-pyridinyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-cycloheptyl-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-cycloheptyl-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)C3CCCCCC3

Isomeric SMILES

CC1=NC(=CC=C1)CN2CC[NH+](C[C@@H]2CCO)C3CCCCCC3

InChI

InChI=1S/C20H33N3O/c1-17-7-6-8-18(21-17)15-22-12-13-23(16-20(22)11-14-24)19-9-4-2-3-5-10-19/h6-8,19-20,24H,2-5,9-16H2,1H3/p+1/t20-/m0/s1