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

Systemtic Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Openeye Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-3-pyrrolyl]-2-(4-methyl-1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Traditional Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Formula: C16H24N5O+ MolecularWeight: 302.39466

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)C2=C(N(C(=C2)C)C3=NC=NN3)C

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)C2=C(N(C(=C2)C)C3=NC=NN3)C

InChI

InChI=1S/C16H23N5O/c1-11-4-6-20(7-5-11)9-15(22)14-8-12(2)21(13(14)3)16-17-10-18-19-16/h8,10-11H,4-7,9H2,1-3H3,(H,17,18,19)/p+1