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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CC[NH+](CC2CCO)CC3=CC=CC=C3O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=CC=C3O)OC

InChI

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