3-[4-[[cyclopropyl(pyridin-2-ylcarbonyl)amino]methyl]phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[4-[[cyclopropyl(pyridin-2-ylcarbonyl)amino]methyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[4-[[cyclopropyl(pyridine-2-carbonyl)amino]methyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[4-[[cyclopropyl-[oxo(2-pyridinyl)methyl]amino]methyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[4-[[cyclopropyl(pyridine-2-carbonyl)amino]methyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[4-[[cyclopropyl(picolinoyl)amino]methyl]phenoxy]propyl-dimethyl-ammonium Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC=CC=N3

Isomeric SMILES

C[NH+](C)CCCOC1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC=CC=N3

InChI

InChI=1S/C21H27N3O2/c1-23(2)14-5-15-26-19-11-7-17(8-12-19)16-24(18-9-10-18)21(25)20-6-3-4-13-22-20/h3-4,6-8,11-13,18H,5,9-10,14-16H2,1-2H3/p+1