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

Systemtic Name: 2-[(2S)-4-cycloheptyl-1-[(2-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-cycloheptyl-1-[(2-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-cycloheptyl-1-[(2-ethoxyphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-cycloheptyl-1-[(2-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-cycloheptyl-1-(2-ethoxybenzyl)piperazin-4-ium-2-yl]ethanol Formula: C22H37N2O2+ MolecularWeight: 361.54138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CC[NH+](CC2CCO)C3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)C3CCCCCC3

InChI

InChI=1S/C22H36N2O2/c1-2-26-22-12-8-7-9-19(22)17-23-14-15-24(18-21(23)13-16-25)20-10-5-3-4-6-11-20/h7-9,12,20-21,25H,2-6,10-11,13-18H2,1H3/p+1/t21-/m0/s1