(E)-1-[hex-5-ynoyl-(phenylmethyl)amino]-1-oxidanyl-3-oxidanylidene-but-1-ene-2-diazonium

Systemtic Name: (E)-1-[hex-5-ynoyl-(phenylmethyl)amino]-1-oxidanyl-3-oxidanylidene-but-1-ene-2-diazonium Openeye Name: (E)-1-[benzyl(hex-5-ynoyl)amino]-1-hydroxy-3-oxo-but-1-ene-2-diazonium CAS Name: (E)-1-hydroxy-3-oxo-1-[1-oxohex-5-ynyl-(phenylmethyl)amino]-1-butene-2-diazonium IUPAC Name: (E)-1-[benzyl(hex-5-ynoyl)amino]-1-hydroxy-3-oxobut-1-ene-2-diazonium Traditional Name: (E)-1-[benzyl(hex-5-ynoyl)amino]-1-hydroxy-3-keto-but-1-ene-2-diazonium Formula: C17H18N3O3+ MolecularWeight: 312.34312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3/c1-3-4-6-11-15(22)20(12-14-9-7-5-8-10-14)17(23)16(19-18)13(2)21/h1,5,7-10H,4,6,11-12H2,2H3/p+1