3-[5-[[cyclohexylcarbonyl(pyridin-3-ylmethyl)amino]methyl]-2-methoxy-phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[5-[[cyclohexylcarbonyl(pyridin-3-ylmethyl)amino]methyl]-2-methoxy-phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[5-[[cyclohexanecarbonyl(3-pyridylmethyl)amino]methyl]-2-methoxy-phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[5-[[[cyclohexyl(oxo)methyl]-(3-pyridinylmethyl)amino]methyl]-2-methoxyphenoxy]propyl-dimethylammonium IUPAC Name: 3-[5-[[cyclohexanecarbonyl(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenoxy]propyl-dimethylazanium Traditional Name: 3-[5-[[cyclohexanecarbonyl(3-pyridylmethyl)amino]methyl]-2-methoxy-phenoxy]propyl-dimethyl-ammonium Formula: C26H38N3O3+ MolecularWeight: 440.59822

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=CC(=C1)CN(CC2=CN=CC=C2)C(=O)C3CCCCC3)OC

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=CC(=C1)CN(CC2=CN=CC=C2)C(=O)C3CCCCC3)OC

InChI

InChI=1S/C26H37N3O3/c1-28(2)15-8-16-32-25-17-21(12-13-24(25)31-3)19-29(20-22-9-7-14-27-18-22)26(30)23-10-5-4-6-11-23/h7,9,12-14,17-18,23H,4-6,8,10-11,15-16,19-20H2,1-3H3/p+1