4-[[(3S)-3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(o-tolylmethyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(2-methylbenzyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=CC=C(C=C3)O

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=CC=C(C=C3)O

InChI

InChI=1S/C21H28N2O2/c1-17-4-2-3-5-19(17)15-23-12-11-22(16-20(23)10-13-24)14-18-6-8-21(25)9-7-18/h2-9,20,24-25H,10-16H2,1H3/p+1/t20-/m0/s1