cyclohexyl-[(2R)-3-[2-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2R)-3-[2-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(4-methyl-1-piperazin-4-iumyl)methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propyl]-methyl-ammonium Formula: C23H41N3O3+2 MolecularWeight: 407.58994

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC(=C(C=C2)OCC(C[NH+](C)C3CCCCC3)O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC(=C(C=C2)OC[C@@H](C[NH+](C)C3CCCCC3)O)OC

InChI

InChI=1S/C23H39N3O3/c1-24-11-13-26(14-12-24)16-19-9-10-22(23(15-19)28-3)29-18-21(27)17-25(2)20-7-5-4-6-8-20/h9-10,15,20-21,27H,4-8,11-14,16-18H2,1-3H3/p+2/t21-/m1/s1