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

Systemtic Name: 3-[[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 3-[[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 3-[[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 3-[[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 3-[[(3S)-4-(4-ethoxybenzyl)-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CC(=CC=C3)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC(=CC=C3)O

InChI

InChI=1S/C22H30N2O3/c1-2-27-22-8-6-18(7-9-22)16-24-12-11-23(17-20(24)10-13-25)15-19-4-3-5-21(26)14-19/h3-9,14,20,25-26H,2,10-13,15-17H2,1H3/p+1/t20-/m0/s1