2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(p-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-[(4-methylphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(4-methylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C22H28N2O3/c1-17-5-7-18(8-6-17)13-24-11-10-23(15-20(24)9-12-25)14-19-3-2-4-21-22(19)27-16-26-21/h2-8,20,25H,9-16H2,1H3/p+1/t20-/m0/s1