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

Systemtic Name: (2R)-1-[2-methoxy-5-[(4-propan-2-ylpiperazin-4-ium-1-yl)methyl]phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-[5-[(4-isopropylpiperazin-4-ium-1-yl)methyl]-2-methoxy-phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2R)-1-[2-methoxy-5-[(4-propan-2-yl-1-piperazin-4-iumyl)methyl]phenoxy]-3-(4-methyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2R)-1-[2-methoxy-5-[(4-propan-2-ylpiperazin-4-ium-1-yl)methyl]phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-[5-[(4-isopropylpiperazin-4-ium-1-yl)methyl]-2-methoxy-phenoxy]-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Formula: C23H42N4O3+2 MolecularWeight: 422.60458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)CC2=CC(=C(C=C2)OC)OCC(CN3CC[NH+](CC3)C)O

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)CC2=CC(=C(C=C2)OC)OC[C@@H](CN3CC[NH+](CC3)C)O

InChI

InChI=1S/C23H40N4O3/c1-19(2)27-13-11-25(12-14-27)16-20-5-6-22(29-4)23(15-20)30-18-21(28)17-26-9-7-24(3)8-10-26/h5-6,15,19,21,28H,7-14,16-18H2,1-4H3/p+2/t21-/m1/s1