carbamimidoylazanium; 6-(4-chlorophenyl)-1-ethoxycarbonyl-4-methyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: carbamimidoylazanium; 6-(4-chlorophenyl)-1-ethoxycarbonyl-4-methyl-cyclohex-3-ene-1-carboxylate Openeye Name: carbamimidoylammonium; 6-(4-chlorophenyl)-1-ethoxycarbonyl-4-methyl-cyclohex-3-ene-1-carboxylate CAS Name: carbamimidoylammonium; 6-(4-chlorophenyl)-1-ethoxycarbonyl-4-methyl-1-cyclohex-3-enecarboxylate IUPAC Name: carbamimidoylazanium; 6-(4-chlorophenyl)-1-ethoxycarbonyl-4-methylcyclohex-3-ene-1-carboxylate Traditional Name: amidinoammonium; 1-carbethoxy-6-(4-chlorophenyl)-4-methyl-cyclohex-3-ene-1-carboxylate Formula: C18H24ClN3O4 MolecularWeight: 381.85386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC=C(CC1C2=CC=C(C=C2)Cl)C)C(=O)[O-].C(=N)([NH3+])N

Isomeric SMILES

CCOC(=O)C1(CC=C(CC1C2=CC=C(C=C2)Cl)C)C(=O)[O-].C(=N)([NH3+])N

InChI

InChI=1S/C17H19ClO4.CH5N3/c1-3-22-16(21)17(15(19)20)9-8-11(2)10-14(17)12-4-6-13(18)7-5-12;2-1(3)4/h4-8,14H,3,9-10H2,1-2H3,(H,19,20);(H5,2,3,4)