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

Systemtic Name: [4-methoxy-3-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl]-methyl-ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl]-methylazanium Traditional Name: benzyl-[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]-methyl-ammonium Formula: C24H37N3O3+2 MolecularWeight: 415.56888

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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=C3)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O3/c1-25-11-13-27(14-12-25)18-22(28)19-30-24-15-21(9-10-23(24)29-3)17-26(2)16-20-7-5-4-6-8-20/h4-10,15,22,28H,11-14,16-19H2,1-3H3/p+2/t22-/m1/s1