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

Systemtic Name: 2-[(2S)-4-[(4-methoxy-3-methyl-phenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(4-methoxy-3-methyl-phenyl)methyl]-1-(o-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(4-methoxy-3-methylphenyl)methyl]-1-[(2-methylphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(4-methoxy-3-methylphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(4-methoxy-3-methyl-benzyl)-1-(2-methylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C23H33N2O2+ MolecularWeight: 369.52032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=CC(=C(C=C3)OC)C

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=CC(=C(C=C3)OC)C

InChI

InChI=1S/C23H32N2O2/c1-18-6-4-5-7-21(18)16-25-12-11-24(17-22(25)10-13-26)15-20-8-9-23(27-3)19(2)14-20/h4-9,14,22,26H,10-13,15-17H2,1-3H3/p+1/t22-/m0/s1