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

Systemtic Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-(p-tolylmethyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-(4-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=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CC(=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC(=CC=C3)O

InChI

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