N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide CAS Name: N-methyl-1-[2-(4-morpholin-4-iumyl)ethyl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-4-triazolecarboxamide IUPAC Name: N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide Traditional Name: N-methyl-1-(2-morpholin-4-ium-4-ylethyl)-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide Formula: C17H28N7O2+ MolecularWeight: 362.44992

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=C1)CN(C)C(=O)C2=CN(N=N2)CC[NH+]3CCOCC3

Isomeric SMILES

CCCC1=NNC(=C1)CN(C)C(=O)C2=CN(N=N2)CC[NH+]3CCOCC3

InChI

InChI=1S/C17H27N7O2/c1-3-4-14-11-15(19-18-14)12-22(2)17(25)16-13-24(21-20-16)6-5-23-7-9-26-10-8-23/h11,13H,3-10,12H2,1-2H3,(H,18,19)/p+1