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

Systemtic Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-phenethyl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(o-tolylmethyl)-4-phenethyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-phenethyl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-phenethylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-methylbenzyl)-4-phenethyl-piperazin-4-ium-2-yl]ethanol Formula: C22H31N2O+ MolecularWeight: 339.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2CCO)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CCC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O/c1-19-7-5-6-10-21(19)17-24-15-14-23(18-22(24)12-16-25)13-11-20-8-3-2-4-9-20/h2-10,22,25H,11-18H2,1H3/p+1/t22-/m0/s1