3-[(4-propan-2-ylphenyl)-pyridin-3-ylcarbonyl-amino]propylazanium

Systemtic Name: 3-[(4-propan-2-ylphenyl)-pyridin-3-ylcarbonyl-amino]propylazanium Openeye Name: 3-[4-isopropyl-N-(pyridine-3-carbonyl)anilino]propylammonium CAS Name: 3-(N-[oxo(3-pyridinyl)methyl]-4-propan-2-ylanilino)propylammonium IUPAC Name: 3-[4-propan-2-yl-N-(pyridine-3-carbonyl)anilino]propylazanium Traditional Name: 3-(4-isopropyl-N-nicotinoyl-anilino)propylammonium Formula: C18H24N3O+ MolecularWeight: 298.40266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O/c1-14(2)15-6-8-17(9-7-15)21(12-4-10-19)18(22)16-5-3-11-20-13-16/h3,5-9,11,13-14H,4,10,12,19H2,1-2H3/p+1