1-(2-morpholin-4-ium-4-ylethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-yl-ethyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-yl-ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-yl-ethyl]triazole-4-carboxamide CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-N-[(1R)-1-phenyl-2-(1-pyrazolyl)ethyl]-4-triazolecarboxamide IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]triazole-4-carboxamide Traditional Name: 1-(2-morpholin-4-ium-4-ylethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-yl-ethyl]triazole-4-carboxamide Formula: C20H26N7O2+ MolecularWeight: 396.46614

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C=C(N=N2)C(=O)NC(CN3C=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCN2C=C(N=N2)C(=O)N[C@@H](CN3C=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H25N7O2/c28-20(19-16-27(24-23-19)10-9-25-11-13-29-14-12-25)22-18(15-26-8-4-7-21-26)17-5-2-1-3-6-17/h1-8,16,18H,9-15H2,(H,22,28)/p+1/t18-/m0/s1