N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-2-(1,2,4-triazol-1-yl)ethanamide

Systemtic Name: N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-2-(1,2,4-triazol-1-yl)ethanamide Openeye Name: N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-2-(1,2,4-triazol-1-yl)acetamide CAS Name: N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-N-phenethyl-2-(1,2,4-triazol-1-yl)acetamide IUPAC Name: N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-2-(1,2,4-triazol-1-yl)acetamide Traditional Name: N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-2-(1,2,4-triazol-1-yl)acetamide Formula: C19H28N5O+ MolecularWeight: 342.45852

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)CN(CCC2=CC=CC=C2)C(=O)CN3C=NC=N3

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)CN(CCC2=CC=CC=C2)C(=O)CN3C=NC=N3

InChI

InChI=1S/C19H27N5O/c1-22-10-5-8-18(12-22)13-23(11-9-17-6-3-2-4-7-17)19(25)14-24-16-20-15-21-24/h2-4,6-7,15-16,18H,5,8-14H2,1H3/p+1/t18-/m0/s1