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

Systemtic Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(3-pyridin-3-yloxypropyl)azanium Openeye Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl-[3-(3-pyridyloxy)propyl]ammonium CAS Name: [3-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]phenyl]methyl-[3-(3-pyridinyloxy)propyl]ammonium IUPAC Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-(3-pyridin-3-yloxypropyl)azanium Traditional Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzyl]-[3-(3-pyridyloxy)propyl]ammonium Formula: C24H38N4O3+2 MolecularWeight: 430.58352

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=CC=CC(=C2)C[NH2+]CCCOC3=CN=CC=C3)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=CC=CC(=C2)C[NH2+]CCCOC3=CN=CC=C3)O

InChI

InChI=1S/C24H36N4O3/c1-2-27-11-13-28(14-12-27)19-22(29)20-31-23-7-3-6-21(16-23)17-25-10-5-15-30-24-8-4-9-26-18-24/h3-4,6-9,16,18,22,25,29H,2,5,10-15,17,19-20H2,1H3/p+2/t22-/m0/s1