2-[(2S)-4-[(3-ethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3-ethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-ethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-ethoxyphenyl)methyl]-1-(3-phenylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-ethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3-ethoxybenzyl)-1-(3-phenylpropyl)piperazin-1-ium-2-yl]ethanol Formula: C24H35N2O2+ MolecularWeight: 383.5469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CN2CC[NH+](C(C2)CCO)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC(=C1)CN2CC[NH+]([C@H](C2)CCO)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H34N2O2/c1-2-28-24-12-6-10-22(18-24)19-25-15-16-26(23(20-25)13-17-27)14-7-11-21-8-4-3-5-9-21/h3-6,8-10,12,18,23,27H,2,7,11,13-17,19-20H2,1H3/p+1/t23-/m0/s1