2-(5-azanyl-1,3-dimethyl-1,2,4-triazol-4-ium-4-yl)-1-naphthalen-2-yl-ethanone

Systemtic Name: 2-(5-azanyl-1,3-dimethyl-1,2,4-triazol-4-ium-4-yl)-1-naphthalen-2-yl-ethanone Openeye Name: 2-(5-amino-1,3-dimethyl-1,2,4-triazol-4-ium-4-yl)-1-(2-naphthyl)ethanone CAS Name: 2-(5-amino-1,3-dimethyl-1,2,4-triazol-4-ium-4-yl)-1-(2-naphthalenyl)ethanone IUPAC Name: 2-(5-amino-1,3-dimethyl-1,2,4-triazol-4-ium-4-yl)-1-naphthalen-2-ylethanone Traditional Name: 2-(5-amino-1,3-dimethyl-1,2,4-triazol-4-ium-4-yl)-1-(2-naphthyl)ethanone Formula: C16H17N4O+ MolecularWeight: 281.33238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=[N+]1CC(=O)C2=CC3=CC=CC=C3C=C2)N)C

Isomeric SMILES

CC1=NN(C(=[N+]1CC(=O)C2=CC3=CC=CC=C3C=C2)N)C

InChI

InChI=1S/C16H16N4O/c1-11-18-19(2)16(17)20(11)10-15(21)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,17H,10H2,1-2H3/p+1