3-[(3,5-dimethylphenyl)-pyridin-3-ylcarbonyl-amino]propylazanium

Systemtic Name: 3-[(3,5-dimethylphenyl)-pyridin-3-ylcarbonyl-amino]propylazanium Openeye Name: 3-[3,5-dimethyl-N-(pyridine-3-carbonyl)anilino]propylammonium CAS Name: 3-(3,5-dimethyl-N-[oxo(3-pyridinyl)methyl]anilino)propylammonium IUPAC Name: 3-[3,5-dimethyl-N-(pyridine-3-carbonyl)anilino]propylazanium Traditional Name: 3-(3,5-dimethyl-N-nicotinoyl-anilino)propylammonium Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC[NH3+])C(=O)C2=CN=CC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC[NH3+])C(=O)C2=CN=CC=C2)C

InChI

InChI=1S/C17H21N3O/c1-13-9-14(2)11-16(10-13)20(8-4-6-18)17(21)15-5-3-7-19-12-15/h3,5,7,9-12H,4,6,8,18H2,1-2H3/p+1