[2-[[3-methoxy-4-(3-methylbutanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[[3-methoxy-4-(3-methylbutanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[3-methoxy-4-(3-methylbutanoylamino)anilino]-2-oxo-ethyl]ammonium CAS Name: [2-[3-methoxy-4-[(3-methyl-1-oxobutyl)amino]anilino]-2-oxoethyl]ammonium IUPAC Name: [2-[3-methoxy-4-(3-methylbutanoylamino)anilino]-2-oxoethyl]azanium Traditional Name: [2-[4-(isovalerylamino)-3-methoxy-anilino]-2-keto-ethyl]ammonium Formula: C14H22N3O3+ MolecularWeight: 280.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3/c1-9(2)6-13(18)17-11-5-4-10(7-12(11)20-3)16-14(19)8-15/h4-5,7,9H,6,8,15H2,1-3H3,(H,16,19)(H,17,18)/p+1