[(2R)-3-[2-methoxy-5-[(3-oxidanylidene-4-phenyl-piperazin-1-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[2-methoxy-5-[(3-oxidanylidene-4-phenyl-piperazin-1-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[(3-oxo-4-phenyl-piperazin-1-ium-1-yl)methyl]phenoxy]propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[(3-oxo-4-phenyl-1-piperazin-1-iumyl)methyl]phenoxy]propyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[(3-oxo-4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-2-hydroxy-3-[5-[(3-keto-4-phenyl-piperazin-1-ium-1-yl)methyl]-2-methoxy-phenoxy]propyl]-isopropyl-methyl-ammonium Formula: C25H37N3O4+2 MolecularWeight: 443.57898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC(COC1=C(C=CC(=C1)C[NH+]2CCN(C(=O)C2)C3=CC=CC=C3)OC)O

Isomeric SMILES

CC(C)[NH+](C)C[C@H](COC1=C(C=CC(=C1)C[NH+]2CCN(C(=O)C2)C3=CC=CC=C3)OC)O

InChI

InChI=1S/C25H35N3O4/c1-19(2)26(3)16-22(29)18-32-24-14-20(10-11-23(24)31-4)15-27-12-13-28(25(30)17-27)21-8-6-5-7-9-21/h5-11,14,19,22,29H,12-13,15-18H2,1-4H3/p+2/t22-/m1/s1