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

Systemtic Name: 3-[2-methoxy-5-[[2-methylpropanoyl(pyridin-3-ylmethyl)amino]methyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[2-methoxy-5-[[2-methylpropanoyl(3-pyridylmethyl)amino]methyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[2-methoxy-5-[[(2-methyl-1-oxopropyl)-(3-pyridinylmethyl)amino]methyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[2-methoxy-5-[[2-methylpropanoyl(pyridin-3-ylmethyl)amino]methyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[5-[[isobutyryl(3-pyridylmethyl)amino]methyl]-2-methoxy-phenoxy]propyl-dimethyl-ammonium Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O3/c1-18(2)23(27)26(17-20-8-6-11-24-15-20)16-19-9-10-21(28-5)22(14-19)29-13-7-12-25(3)4/h6,8-11,14-15,18H,7,12-13,16-17H2,1-5H3/p+1