[4-[[3-methyl-4-(pyridin-3-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[3-methyl-4-(pyridin-3-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[3-methyl-4-(pyridine-3-carbonylamino)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[3-methyl-4-[[oxo(3-pyridinyl)methyl]amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[3-methyl-4-(pyridine-3-carbonylamino)anilino]-4-oxobutyl]azanium Traditional Name: [4-keto-4-(3-methyl-4-nicotinamido-anilino)butyl]ammonium Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2/c1-12-10-14(20-16(22)5-2-8-18)6-7-15(12)21-17(23)13-4-3-9-19-11-13/h3-4,6-7,9-11H,2,5,8,18H2,1H3,(H,20,22)(H,21,23)/p+1