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

Systemtic Name: [4-methoxy-2-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(3-pyridin-3-ylpropyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl-[3-(3-pyridyl)propyl]ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl-[3-(3-pyridinyl)propyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-(3-pyridin-3-ylpropyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]-[3-(3-pyridyl)propyl]ammonium Formula: C24H38N4O3+2 MolecularWeight: 430.58352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N4O3/c1-27-11-13-28(14-12-27)18-22(29)19-31-24-15-23(30-2)8-7-21(24)17-26-10-4-6-20-5-3-9-25-16-20/h3,5,7-9,15-16,22,26,29H,4,6,10-14,17-19H2,1-2H3/p+2/t22-/m1/s1