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

Systemtic Name: 2-[(2S)-4-[(3-methylphenyl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-(m-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-methylphenyl)methyl]-1-(phenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-[(3-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-(3-methylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O/c1-18-6-5-9-20(14-18)15-22-11-12-23(21(17-22)10-13-24)16-19-7-3-2-4-8-19/h2-9,14,21,24H,10-13,15-17H2,1H3/p+1/t21-/m0/s1