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

Systemtic Name: ethyl 1-[(2-chlorophenyl)methyl]-5-(2-piperidin-1-ium-1-ylethanoylamino)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-[(2-chlorophenyl)methyl]-5-[(2-piperidin-1-ium-1-ylacetyl)amino]triazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-5-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-chlorophenyl)methyl]-5-[(2-piperidin-1-ium-1-ylacetyl)amino]triazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)-5-[(2-piperidin-1-ium-1-ylacetyl)amino]triazole-4-carboxylic acid ethyl ester Formula: C19H25ClN5O3+ MolecularWeight: 406.8865

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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+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)CC2=CC=CC=C2Cl)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C19H24ClN5O3/c1-2-28-19(27)17-18(21-16(26)13-24-10-6-3-7-11-24)25(23-22-17)12-14-8-4-5-9-15(14)20/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,21,26)/p+1