[1-[(2,6-dimethyl-4-propoxycarbonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-propyl-azanium perchlorate

Systemtic Name: [1-[(2,6-dimethyl-4-propoxycarbonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-propyl-azanium perchlorate Openeye Name: [2-(2,6-dimethyl-4-propoxycarbonyl-anilino)-1-methyl-2-oxo-ethyl]-propyl-ammonium perchlorate CAS Name: [1-[2,6-dimethyl-4-[oxo(propoxy)methyl]anilino]-1-oxopropan-2-yl]-propylammonium perchlorate IUPAC Name: [1-(2,6-dimethyl-4-propoxycarbonylanilino)-1-oxopropan-2-yl]-propylazanium perchlorate Traditional Name: [2-(2,6-dimethyl-4-propoxycarbonyl-anilino)-2-keto-1-methyl-ethyl]-propyl-ammonium perchlorate Formula: C18H29ClN2O7 MolecularWeight: 420.88506

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]C(C)C(=O)NC1=C(C=C(C=C1C)C(=O)OCCC)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCC[NH2+]C(C)C(=O)NC1=C(C=C(C=C1C)C(=O)OCCC)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H28N2O3.ClHO4/c1-6-8-19-14(5)17(21)20-16-12(3)10-15(11-13(16)4)18(22)23-9-7-2;2-1(3,4)5/h10-11,14,19H,6-9H2,1-5H3,(H,20,21);(H,2,3,4,5)