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

Systemtic Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 3-[[(3S)-4-benzyl-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 3-[[(3S)-4-benzyl-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 3-[[(3S)-4-benzyl-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC(=CC=C2)O)CCO)CC3=CC=CC=C3

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC(=CC=C2)O)CCO)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O2/c23-12-9-19-16-21(14-18-7-4-8-20(24)13-18)10-11-22(19)15-17-5-2-1-3-6-17/h1-8,13,19,23-24H,9-12,14-16H2/p+1/t19-/m0/s1