(2R)-1-[2-methoxy-5-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2R)-1-[2-methoxy-5-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-[2-methoxy-5-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2R)-1-[2-methoxy-5-[(4-methyl-1-piperidin-1-iumyl)methyl]phenoxy]-3-(4-methyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2R)-1-[2-methoxy-5-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-[2-methoxy-5-[(4-methylpiperidin-1-ium-1-yl)methyl]phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Formula: C22H39N3O3+2 MolecularWeight: 393.56336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OCC(CN3CC[NH+](CC3)C)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OC[C@@H](CN3CC[NH+](CC3)C)O

InChI

InChI=1S/C22H37N3O3/c1-18-6-8-24(9-7-18)15-19-4-5-21(27-3)22(14-19)28-17-20(26)16-25-12-10-23(2)11-13-25/h4-5,14,18,20,26H,6-13,15-17H2,1-3H3/p+2/t20-/m1/s1