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

Systemtic Name: [4-methoxy-2-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[2-(4-methyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C22H41N4O3+3 MolecularWeight: 409.58594

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC[NH2+]CC2=C(C=C(C=C2)OC)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

C[NH+]1CCN(CC1)CC[NH2+]CC2=C(C=C(C=C2)OC)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C22H38N4O3/c1-24-11-13-25(14-12-24)10-7-23-16-19-5-6-21(28-2)15-22(19)29-18-20(27)17-26-8-3-4-9-26/h5-6,15,20,23,27H,3-4,7-14,16-18H2,1-2H3/p+3/t20-/m1/s1