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

Systemtic Name: (2R)-1-[2-methoxy-5-[(4-propan-2-ylpiperazin-4-ium-1-yl)methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2R)-1-[5-[(4-isopropylpiperazin-4-ium-1-yl)methyl]-2-methoxy-phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2R)-1-[2-methoxy-5-[(4-propan-2-yl-1-piperazin-4-iumyl)methyl]phenoxy]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-[2-methoxy-5-[(4-propan-2-ylpiperazin-4-ium-1-yl)methyl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2R)-1-[5-[(4-isopropylpiperazin-4-ium-1-yl)methyl]-2-methoxy-phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C23H41N3O3+2 MolecularWeight: 407.58994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C23H39N3O3/c1-19(2)26-13-11-25(12-14-26)16-20-7-8-22(28-3)23(15-20)29-18-21(27)17-24-9-5-4-6-10-24/h7-8,15,19,21,27H,4-6,9-14,16-18H2,1-3H3/p+2/t21-/m1/s1