[3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(3-pyridin-3-ylpropyl)azanium

Systemtic Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(3-pyridin-3-ylpropyl)azanium Openeye Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl-[3-(3-pyridyl)propyl]ammonium CAS Name: [3-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]phenyl]methyl-[3-(3-pyridinyl)propyl]ammonium IUPAC Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-(3-pyridin-3-ylpropyl)azanium Traditional Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzyl]-[3-(3-pyridyl)propyl]ammonium Formula: C24H38N4O2+2 MolecularWeight: 414.58412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=CC=CC(=C2)C[NH2+]CCCC3=CN=CC=C3)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=CC=CC(=C2)C[NH2+]CCCC3=CN=CC=C3)O

InChI

InChI=1S/C24H36N4O2/c1-2-27-12-14-28(15-13-27)19-23(29)20-30-24-9-3-6-22(16-24)18-26-11-5-8-21-7-4-10-25-17-21/h3-4,6-7,9-10,16-17,23,26,29H,2,5,8,11-15,18-20H2,1H3/p+2/t23-/m0/s1