[4-[[2-ethyl-5-(pyridin-3-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[2-ethyl-5-(pyridin-3-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[2-ethyl-5-(pyridine-3-carbonylamino)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[2-ethyl-5-[[oxo(3-pyridinyl)methyl]amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[2-ethyl-5-(pyridine-3-carbonylamino)anilino]-4-oxobutyl]azanium Traditional Name: [4-(2-ethyl-5-nicotinamido-anilino)-4-keto-butyl]ammonium Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=O)C2=CN=CC=C2)NC(=O)CCC[NH3+]

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=O)C2=CN=CC=C2)NC(=O)CCC[NH3+]

InChI

InChI=1S/C18H22N4O2/c1-2-13-7-8-15(11-16(13)22-17(23)6-3-9-19)21-18(24)14-5-4-10-20-12-14/h4-5,7-8,10-12H,2-3,6,9,19H2,1H3,(H,21,24)(H,22,23)/p+1