(E)-4-[methyl-(phenylmethyl)amino]-2-oxidanyl-but-1-ene-1-diazonium

Systemtic Name: (E)-4-[methyl-(phenylmethyl)amino]-2-oxidanyl-but-1-ene-1-diazonium Openeye Name: (E)-4-[benzyl(methyl)amino]-2-hydroxy-but-1-ene-1-diazonium CAS Name: (E)-2-hydroxy-4-[methyl-(phenylmethyl)amino]-1-butene-1-diazonium IUPAC Name: (E)-4-[benzyl(methyl)amino]-2-hydroxybut-1-ene-1-diazonium Traditional Name: (E)-4-[benzyl(methyl)amino]-2-hydroxy-but-1-ene-1-diazonium Formula: C12H16N3O+ MolecularWeight: 218.27494

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=C[N+]#N)O)CC1=CC=CC=C1

Isomeric SMILES

CN(CC/C(=C\[N+]#N)/O)CC1=CC=CC=C1

InChI

InChI=1S/C12H15N3O/c1-15(8-7-12(16)9-14-13)10-11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3/p+1/b12-9+