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

Systemtic Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-3-methoxy-phenol Openeye Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(p-tolylmethyl)piperazin-1-ium-1-yl]methyl]-3-methoxy-phenol CAS Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]-1-piperazin-1-iumyl]methyl]-3-methoxyphenol IUPAC Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-3-methoxyphenol Traditional Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(4-methylbenzyl)piperazin-1-ium-1-yl]methyl]-3-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=CC=C3OC)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=C(C=CC=C3OC)O

InChI

InChI=1S/C22H30N2O3/c1-17-6-8-18(9-7-17)14-24-12-11-23(15-19(24)10-13-25)16-20-21(26)4-3-5-22(20)27-2/h3-9,19,25-26H,10-16H2,1-2H3/p+1/t19-/m0/s1