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

Systemtic Name: 2-[(2S)-1-(3-phenylpropyl)-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-phenylpropyl)-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-phenylpropyl)-4-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-phenylpropyl)-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-phenylpropyl)-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium-2-yl]ethanol Formula: C25H33N4O+ MolecularWeight: 405.55572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC=CN2C3=CC=CC=N3)CCO)CCCC4=CC=CC=C4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC=CN2C3=CC=CC=N3)CCO)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O/c30-19-13-23-20-27(17-18-28(23)15-6-10-22-8-2-1-3-9-22)21-24-11-7-16-29(24)25-12-4-5-14-26-25/h1-5,7-9,11-12,14,16,23,30H,6,10,13,15,17-21H2/p+1/t23-/m0/s1