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

Systemtic Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-allyloxyphenyl)methyl]-1-(o-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(2-prop-2-enoxyphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-allyloxybenzyl)-1-(2-methylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=CC=CC=C3OCC=C

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=CC=CC=C3OCC=C

InChI

InChI=1S/C24H32N2O2/c1-3-16-28-24-11-7-6-10-22(24)17-25-13-14-26(23(19-25)12-15-27)18-21-9-5-4-8-20(21)2/h3-11,23,27H,1,12-19H2,2H3/p+1/t23-/m0/s1