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

Systemtic Name: [4-methoxy-2-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(2-phenoxyethyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl-(2-phenoxyethyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-(2-phenoxyethyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]-(2-phenoxyethyl)ammonium Formula: C24H37N3O4+2 MolecularWeight: 431.56828

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(COC2=C(C=CC(=C2)OC)C[NH2+]CCOC3=CC=CC=C3)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@H](COC2=C(C=CC(=C2)OC)C[NH2+]CCOC3=CC=CC=C3)O

InChI

InChI=1S/C24H35N3O4/c1-26-11-13-27(14-12-26)18-21(28)19-31-24-16-23(29-2)9-8-20(24)17-25-10-15-30-22-6-4-3-5-7-22/h3-9,16,21,25,28H,10-15,17-19H2,1-2H3/p+2/t21-/m1/s1