3-[butanoyl(pyridin-3-ylmethyl)amino]propylazanium

Systemtic Name: 3-[butanoyl(pyridin-3-ylmethyl)amino]propylazanium Openeye Name: 3-[butanoyl(3-pyridylmethyl)amino]propylammonium CAS Name: 3-[1-oxobutyl(3-pyridinylmethyl)amino]propylammonium IUPAC Name: 3-[butanoyl(pyridin-3-ylmethyl)amino]propylazanium Traditional Name: 3-[butyryl(3-pyridylmethyl)amino]propylammonium Formula: C13H22N3O+ MolecularWeight: 236.33328

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CCC[NH3+])CC1=CN=CC=C1

Isomeric SMILES

CCCC(=O)N(CCC[NH3+])CC1=CN=CC=C1

InChI

InChI=1S/C13H21N3O/c1-2-5-13(17)16(9-4-7-14)11-12-6-3-8-15-10-12/h3,6,8,10H,2,4-5,7,9,11,14H2,1H3/p+1