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

Systemtic Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(3-pyrazol-1-ylpropyl)azanium Openeye Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl-(3-pyrazol-1-ylpropyl)ammonium CAS Name: [3-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]phenyl]methyl-[3-(1-pyrazolyl)propyl]ammonium IUPAC Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-(3-pyrazol-1-ylpropyl)azanium Traditional Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzyl]-(3-pyrazol-1-ylpropyl)ammonium Formula: C22H37N5O2+2 MolecularWeight: 403.56148

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=CC=CC(=C2)C[NH2+]CCCN3C=CC=N3)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=CC=CC(=C2)C[NH2+]CCCN3C=CC=N3)O

InChI

InChI=1S/C22H35N5O2/c1-2-25-12-14-26(15-13-25)18-21(28)19-29-22-7-3-6-20(16-22)17-23-8-4-10-27-11-5-9-24-27/h3,5-7,9,11,16,21,23,28H,2,4,8,10,12-15,17-19H2,1H3/p+2/t21-/m0/s1