[4-methoxy-2-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(3-pyrazol-1-ylpropyl)azanium

Systemtic Name: [4-methoxy-2-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(3-pyrazol-1-ylpropyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl-(3-pyrazol-1-ylpropyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl-[3-(1-pyrazolyl)propyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-(3-pyrazol-1-ylpropyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]-(3-pyrazol-1-ylpropyl)ammonium Formula: C22H37N5O3+2 MolecularWeight: 419.56088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N5O3/c1-25-11-13-26(14-12-25)17-20(28)18-30-22-15-21(29-2)6-5-19(22)16-23-7-3-9-27-10-4-8-24-27/h4-6,8,10,15,20,23,28H,3,7,9,11-14,16-18H2,1-2H3/p+2/t20-/m1/s1