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

Systemtic Name: 2-[(2S)-4-cycloheptyl-1-[(2-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-cycloheptyl-1-(o-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-cycloheptyl-1-[(2-methylphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-cycloheptyl-1-[(2-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-cycloheptyl-1-(2-methylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C21H35N2O+ MolecularWeight: 331.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2CCO)C3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)C3CCCCCC3

InChI

InChI=1S/C21H34N2O/c1-18-8-6-7-9-19(18)16-22-13-14-23(17-21(22)12-15-24)20-10-4-2-3-5-11-20/h6-9,20-21,24H,2-5,10-17H2,1H3/p+1/t21-/m0/s1