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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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