2-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-5-methoxy-phenol

Systemtic Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-5-methoxy-phenol Openeye Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(p-tolylmethyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-phenol CAS Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]-1-piperazin-1-iumyl]methyl]-5-methoxyphenol IUPAC Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-5-methoxyphenol Traditional Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(4-methylbenzyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-phenol Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=C(C=C(C=C3)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-17-3-5-18(6-4-17)14-24-11-10-23(16-20(24)9-12-25)15-19-7-8-21(27-2)13-22(19)26/h3-8,13,20,25-26H,9-12,14-16H2,1-2H3/p+1/t20-/m0/s1