methyl 5-[3-(2-chloroethyl)-1,2,3-triazolidin-1-ium-1-ylidene]imidazole-4-carboxylate

Systemtic Name: methyl 5-[3-(2-chloroethyl)-1,2,3-triazolidin-1-ium-1-ylidene]imidazole-4-carboxylate Openeye Name: methyl 5-[3-(2-chloroethyl)triazolidin-1-ium-1-ylidene]imidazole-4-carboxylate CAS Name: 5-[3-(2-chloroethyl)-1-triazolidin-1-iumylidene]-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-(2-chloroethyl)triazolidin-1-ium-1-ylidene]imidazole-4-carboxylate Traditional Name: 5-[3-(2-chloroethyl)triazolidin-1-ium-1-ylidene]imidazole-4-carboxylic acid methyl ester Formula: C9H13ClN5O2+ MolecularWeight: 258.68482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=NC1=[N+]2CCN(N2)CCCl

Isomeric SMILES

COC(=O)C1=NC=NC1=[N+]2CCN(N2)CCCl

InChI

InChI=1S/C9H12ClN5O2/c1-17-9(16)7-8(12-6-11-7)15-5-4-14(13-15)3-2-10/h6H,2-5H2,1H3/p+1