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

Systemtic Name: [4-methoxy-3-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: benzyl-[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]ammonium Formula: C23H35N3O3+2 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(COC2=C(C=CC(=C2)C[NH2+]CC3=CC=CC=C3)OC)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@H](COC2=C(C=CC(=C2)C[NH2+]CC3=CC=CC=C3)OC)O

InChI

InChI=1S/C23H33N3O3/c1-25-10-12-26(13-11-25)17-21(27)18-29-23-14-20(8-9-22(23)28-2)16-24-15-19-6-4-3-5-7-19/h3-9,14,21,24,27H,10-13,15-18H2,1-2H3/p+2/t21-/m1/s1