1,1-dimethyl-1,2,3-triazet-1-ium-4-one; propan-2-yl ethanoate

Systemtic Name: 1,1-dimethyl-1,2,3-triazet-1-ium-4-one; propan-2-yl ethanoate Openeye Name: 1,1-dimethyltriazet-1-ium-4-one; isopropyl acetate CAS Name: acetic acid propan-2-yl ester; 1,1-dimethyl-4-triazet-1-iumone IUPAC Name: 1,1-dimethyltriazet-1-ium-4-one; propan-2-yl acetate Traditional Name: acetic acid isopropyl ester; 1,1-dimethyltriazet-1-ium-4-one Formula: C8H16N3O3+ MolecularWeight: 202.23094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C.C[N+]1(C(=O)N=N1)C

Isomeric SMILES

CC(C)OC(=O)C.C[N+]1(C(=O)N=N1)C

InChI

InChI=1S/C5H10O2.C3H6N3O/c1-4(2)7-5(3)6;1-6(2)3(7)4-5-6/h4H,1-3H3;1-2H3/q;+1