[(2R)-3-[4-[(1,3-benzoxazol-2-ylmethylazaniumyl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[4-[(1,3-benzoxazol-2-ylmethylazaniumyl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-3-[4-[(1,3-benzoxazol-2-ylmethylammonio)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-3-[4-[(1,3-benzoxazol-2-ylmethylammonio)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-3-[4-[(1,3-benzoxazol-2-ylmethylazaniumyl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-3-[4-[(1,3-benzoxazol-2-ylmethylammonio)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-isopropyl-methyl-ammonium Formula: C23H33N3O4+2 MolecularWeight: 415.52582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC(COC1=C(C=C(C=C1)C[NH2+]CC2=NC3=CC=CC=C3O2)OC)O

Isomeric SMILES

CC(C)[NH+](C)C[C@H](COC1=C(C=C(C=C1)C[NH2+]CC2=NC3=CC=CC=C3O2)OC)O

InChI

InChI=1S/C23H31N3O4/c1-16(2)26(3)14-18(27)15-29-21-10-9-17(11-22(21)28-4)12-24-13-23-25-19-7-5-6-8-20(19)30-23/h5-11,16,18,24,27H,12-15H2,1-4H3/p+2/t18-/m1/s1