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

Systemtic Name: 1-[(2R)-3-[4-methoxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-ol Openeye Name: 1-[(2R)-2-hydroxy-3-[4-methoxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propyl]piperidin-1-ium-4-ol CAS Name: 1-[(2R)-2-hydroxy-3-[4-methoxy-2-[(4-methyl-1-piperazin-4-iumyl)methyl]phenoxy]propyl]-4-piperidin-1-iumol IUPAC Name: 1-[(2R)-2-hydroxy-3-[4-methoxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propyl]piperidin-1-ium-4-ol Traditional Name: 1-[(2R)-2-hydroxy-3-[4-methoxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propyl]piperidin-1-ium-4-ol Formula: C21H37N3O4+2 MolecularWeight: 395.53618

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(C=CC(=C2)OC)OCC(C[NH+]3CCC(CC3)O)O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(C=CC(=C2)OC)OC[C@@H](C[NH+]3CCC(CC3)O)O

InChI

InChI=1S/C21H35N3O4/c1-22-9-11-24(12-10-22)14-17-13-20(27-2)3-4-21(17)28-16-19(26)15-23-7-5-18(25)6-8-23/h3-4,13,18-19,25-26H,5-12,14-16H2,1-2H3/p+2/t19-/m1/s1