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

Systemtic Name: 3-[2-methoxy-5-[[propanoyl(pyridin-3-ylmethyl)amino]methyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[2-methoxy-5-[[propanoyl(3-pyridylmethyl)amino]methyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[2-methoxy-5-[[1-oxopropyl(3-pyridinylmethyl)amino]methyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[2-methoxy-5-[[propanoyl(pyridin-3-ylmethyl)amino]methyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[2-methoxy-5-[[propionyl(3-pyridylmethyl)amino]methyl]phenoxy]propyl-dimethyl-ammonium Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC1=CC(=C(C=C1)OC)OCCC[NH+](C)C)CC2=CN=CC=C2

Isomeric SMILES

CCC(=O)N(CC1=CC(=C(C=C1)OC)OCCC[NH+](C)C)CC2=CN=CC=C2

InChI

InChI=1S/C22H31N3O3/c1-5-22(26)25(17-19-8-6-11-23-15-19)16-18-9-10-20(27-4)21(14-18)28-13-7-12-24(2)3/h6,8-11,14-15H,5,7,12-13,16-17H2,1-4H3/p+1