ethyl 1-[(2-chlorophenyl)methyl]-5-(2-pyrrolidin-1-ium-1-ylethanoylamino)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-[(2-chlorophenyl)methyl]-5-(2-pyrrolidin-1-ium-1-ylethanoylamino)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-[(2-chlorophenyl)methyl]-5-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]triazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-5-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-chlorophenyl)methyl]-5-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]triazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)-5-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]triazole-4-carboxylic acid ethyl ester Formula: C18H23ClN5O3+ MolecularWeight: 392.85992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)CC2=CC=CC=C2Cl)NC(=O)C[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)CC2=CC=CC=C2Cl)NC(=O)C[NH+]3CCCC3

InChI

InChI=1S/C18H22ClN5O3/c1-2-27-18(26)16-17(20-15(25)12-23-9-5-6-10-23)24(22-21-16)11-13-7-3-4-8-14(13)19/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,20,25)/p+1