3-[2-phenylethanoyl(pyridin-3-ylmethyl)amino]propylazanium

Systemtic Name: 3-[2-phenylethanoyl(pyridin-3-ylmethyl)amino]propylazanium Openeye Name: 3-[(2-phenylacetyl)-(3-pyridylmethyl)amino]propylammonium CAS Name: 3-[(1-oxo-2-phenylethyl)-(3-pyridinylmethyl)amino]propylammonium IUPAC Name: 3-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]propylazanium Traditional Name: 3-[(2-phenylacetyl)-(3-pyridylmethyl)amino]propylammonium Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)N(CCC[NH3+])CC2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N(CCC[NH3+])CC2=CN=CC=C2

InChI

InChI=1S/C17H21N3O/c18-9-5-11-20(14-16-8-4-10-19-13-16)17(21)12-15-6-2-1-3-7-15/h1-4,6-8,10,13H,5,9,11-12,14,18H2/p+1