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

Systemtic Name: 2-[(2S)-4-[(4-methoxy-3-methyl-phenyl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(4-methoxy-3-methylphenyl)methyl]-1-(phenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-(4-methoxy-3-methyl-benzyl)piperazin-4-ium-2-yl]ethanol Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCN(C(C2)CCO)CC3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H30N2O2/c1-18-14-20(8-9-22(18)26-2)15-23-11-12-24(21(17-23)10-13-25)16-19-6-4-3-5-7-19/h3-9,14,21,25H,10-13,15-17H2,1-2H3/p+1/t21-/m0/s1