cyclohexyl-[(2R)-3-[4-[(4-ethanoyl-1,4-diazepan-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2R)-3-[4-[(4-ethanoyl-1,4-diazepan-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2R)-3-[4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium CAS Name: [(2R)-3-[4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-cyclohexyl-methylammonium IUPAC Name: [(2R)-3-[4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-cyclohexyl-methylazanium Traditional Name: [(2R)-3-[4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium Formula: C25H43N3O4+2 MolecularWeight: 449.62662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC[NH+](CC1)CC2=CC(=C(C=C2)OCC(C[NH+](C)C3CCCCC3)O)OC

Isomeric SMILES

CC(=O)N1CCC[NH+](CC1)CC2=CC(=C(C=C2)OC[C@@H](C[NH+](C)C3CCCCC3)O)OC

InChI

InChI=1S/C25H41N3O4/c1-20(29)28-13-7-12-27(14-15-28)17-21-10-11-24(25(16-21)31-3)32-19-23(30)18-26(2)22-8-5-4-6-9-22/h10-11,16,22-23,30H,4-9,12-15,17-19H2,1-3H3/p+2/t23-/m1/s1