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

Systemtic Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]phenol CAS Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]phenol Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CCCC2=CC=CC=C2)CCO)CC3=CC(=CC=C3)O

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CCCC2=CC=CC=C2)CCO)CC3=CC(=CC=C3)O

InChI

InChI=1S/C22H30N2O2/c25-15-11-21-18-23(17-20-8-4-10-22(26)16-20)13-14-24(21)12-5-9-19-6-2-1-3-7-19/h1-4,6-8,10,16,21,25-26H,5,9,11-15,17-18H2/p+1/t21-/m0/s1