[(2R)-3-[2-methoxy-4-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[2-methoxy-4-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[[4-(1-piperidyl)piperidin-1-ium-1-yl]methyl]phenoxy]propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[[4-(1-piperidinyl)-1-piperidin-1-iumyl]methyl]phenoxy]propyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[(4-piperidinopiperidin-1-ium-1-yl)methyl]phenoxy]propyl]-isopropyl-methyl-ammonium Formula: C25H45N3O3+2 MolecularWeight: 435.6431

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC(COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)N3CCCCC3)OC)O

Isomeric SMILES

CC(C)[NH+](C)C[C@H](COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)N3CCCCC3)OC)O

InChI

InChI=1S/C25H43N3O3/c1-20(2)26(3)18-23(29)19-31-24-9-8-21(16-25(24)30-4)17-27-14-10-22(11-15-27)28-12-6-5-7-13-28/h8-9,16,20,22-23,29H,5-7,10-15,17-19H2,1-4H3/p+2/t23-/m1/s1