1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-3-pyrrolyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C15H22N5O+ MolecularWeight: 288.36808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=NN2)C)C(=O)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(N1C2=NC=NN2)C)C(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C15H21N5O/c1-11-8-13(12(2)20(11)15-16-10-17-18-15)14(21)9-19-6-4-3-5-7-19/h8,10H,3-7,9H2,1-2H3,(H,16,17,18)/p+1