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

Systemtic Name: [4-methoxy-3-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-methyl-(pyridin-2-ylmethyl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl-methyl-(2-pyridylmethyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl-methyl-(2-pyridinylmethyl)ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-methyl-(pyridin-2-ylmethyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]-methyl-(2-pyridylmethyl)ammonium Formula: C23H36N4O3+2 MolecularWeight: 416.55694

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(COC2=C(C=CC(=C2)C[NH+](C)CC3=CC=CC=N3)OC)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@H](COC2=C(C=CC(=C2)C[NH+](C)CC3=CC=CC=N3)OC)O

InChI

InChI=1S/C23H34N4O3/c1-25-10-12-27(13-11-25)17-21(28)18-30-23-14-19(7-8-22(23)29-3)15-26(2)16-20-6-4-5-9-24-20/h4-9,14,21,28H,10-13,15-18H2,1-3H3/p+2/t21-/m1/s1