[2-[[4-(butanoylamino)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[[4-(butanoylamino)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[4-(butanoylamino)-3-methyl-anilino]-2-oxo-ethyl]ammonium CAS Name: [2-[3-methyl-4-(1-oxobutylamino)anilino]-2-oxoethyl]ammonium IUPAC Name: [2-[4-(butanoylamino)-3-methylanilino]-2-oxoethyl]azanium Traditional Name: [2-(4-butyramido-3-methyl-anilino)-2-keto-ethyl]ammonium Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=C(C=C1)NC(=O)C[NH3+])C

Isomeric SMILES

CCCC(=O)NC1=C(C=C(C=C1)NC(=O)C[NH3+])C

InChI

InChI=1S/C13H19N3O2/c1-3-4-12(17)16-11-6-5-10(7-9(11)2)15-13(18)8-14/h5-7H,3-4,8,14H2,1-2H3,(H,15,18)(H,16,17)/p+1