N-(2-piperidin-1-ium-1-ylethyl)-N'-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanediamide

Systemtic Name: N-(2-piperidin-1-ium-1-ylethyl)-N'-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanediamide Openeye Name: N-(2-piperidin-1-ium-1-ylethyl)-N'-[4-(1,2,4-triazol-1-ylmethyl)phenyl]oxamide CAS Name: N-[2-(1-piperidin-1-iumyl)ethyl]-N'-[4-(1,2,4-triazol-1-ylmethyl)phenyl]oxamide IUPAC Name: N-(2-piperidin-1-ium-1-ylethyl)-N'-[4-(1,2,4-triazol-1-ylmethyl)phenyl]oxamide Traditional Name: N-(2-piperidin-1-ium-1-ylethyl)-N'-[4-(1,2,4-triazol-1-ylmethyl)phenyl]oxamide Formula: C18H25N6O2+ MolecularWeight: 357.4301

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)C(=O)NC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)C(=O)NC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C18H24N6O2/c25-17(20-8-11-23-9-2-1-3-10-23)18(26)22-16-6-4-15(5-7-16)12-24-14-19-13-21-24/h4-7,13-14H,1-3,8-12H2,(H,20,25)(H,22,26)/p+1