(E)-4-[(2-azanyl-4-oxidanylidene-3-propan-2-yl-hexanoyl)-phenyl-amino]-2-oxidanyl-but-1-ene-1-diazonium

Systemtic Name: (E)-4-[(2-azanyl-4-oxidanylidene-3-propan-2-yl-hexanoyl)-phenyl-amino]-2-oxidanyl-but-1-ene-1-diazonium Openeye Name: (E)-4-(N-(2-amino-3-isopropyl-4-oxo-hexanoyl)anilino)-2-hydroxy-but-1-ene-1-diazonium CAS Name: (E)-4-(N-(2-amino-1,4-dioxo-3-propan-2-ylhexyl)anilino)-2-hydroxy-1-butene-1-diazonium IUPAC Name: (E)-4-(N-(2-amino-4-oxo-3-propan-2-ylhexanoyl)anilino)-2-hydroxybut-1-ene-1-diazonium Traditional Name: (E)-4-(N-(2-amino-3-isopropyl-4-keto-hexanoyl)anilino)-2-hydroxy-but-1-ene-1-diazonium Formula: C19H27N4O3+ MolecularWeight: 359.44268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3/c1-4-16(25)17(13(2)3)18(20)19(26)23(11-10-15(24)12-22-21)14-8-6-5-7-9-14/h5-9,12-13,17-18H,4,10-11,20H2,1-3H3/p+1/b15-12+