(E,3E)-3-[[5,7-dimethyl-3-(phenylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-yl]imino]-1-methoxy-prop-1-en-1-olate

Systemtic Name: (E,3E)-3-[[5,7-dimethyl-3-(phenylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-yl]imino]-1-methoxy-prop-1-en-1-olate Openeye Name: (E,3E)-3-[(3-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-yl)imino]-1-methoxy-prop-1-en-1-olate CAS Name: (E,3E)-3-[[5,7-dimethyl-3-(phenylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-yl]imino]-1-methoxy-1-propen-1-olate IUPAC Name: (E,3E)-3-[(3-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-yl)imino]-1-methoxyprop-1-en-1-olate Traditional Name: (E,3E)-3-[(3-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-yl)imino]-1-methoxy-prop-1-en-1-olate Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C(=N1)N(C(=N2)N=CC=C([O-])OC)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=[N+]2C(=N1)N(C(=N2)/N=C/C=C(\[O-])/OC)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H19N5O2/c1-13-11-14(2)23-18(20-13)22(12-15-7-5-4-6-8-15)17(21-23)19-10-9-16(24)25-3/h4-11H,12H2,1-3H3