methyl 3-[1-(4-carbamimidoylphenyl)-4-cyclohexyl-5-oxidanylidene-1,2,4-triazol-4-ium-4-yl]propanoate

Systemtic Name: methyl 3-[1-(4-carbamimidoylphenyl)-4-cyclohexyl-5-oxidanylidene-1,2,4-triazol-4-ium-4-yl]propanoate Openeye Name: methyl 3-[1-(4-carbamimidoylphenyl)-4-cyclohexyl-5-oxo-1,2,4-triazol-4-ium-4-yl]propanoate CAS Name: 3-[1-(4-carbamimidoylphenyl)-4-cyclohexyl-5-oxo-1,2,4-triazol-4-ium-4-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(4-carbamimidoylphenyl)-4-cyclohexyl-5-oxo-1,2,4-triazol-4-ium-4-yl]propanoate Traditional Name: 3-[1-(4-amidinophenyl)-4-cyclohexyl-5-keto-1,2,4-triazol-4-ium-4-yl]propionic acid methyl ester Formula: C19H26N5O3+ MolecularWeight: 372.44144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC[N+]1(C=NN(C1=O)C2=CC=C(C=C2)C(=N)N)C3CCCCC3

Isomeric SMILES

COC(=O)CC[N+]1(C=NN(C1=O)C2=CC=C(C=C2)C(=N)N)C3CCCCC3

InChI

InChI=1S/C19H26N5O3/c1-27-17(25)11-12-24(16-5-3-2-4-6-16)13-22-23(19(24)26)15-9-7-14(8-10-15)18(20)21/h7-10,13,16H,2-6,11-12H2,1H3,(H3,20,21)/q+1