(E)-1-[4-indol-1-ylbutanoyl(methyl)amino]-1-oxidanyl-3-oxidanylidene-but-1-ene-2-diazonium

Systemtic Name: (E)-1-[4-indol-1-ylbutanoyl(methyl)amino]-1-oxidanyl-3-oxidanylidene-but-1-ene-2-diazonium Openeye Name: (E)-1-hydroxy-1-[4-indol-1-ylbutanoyl(methyl)amino]-3-oxo-but-1-ene-2-diazonium CAS Name: (E)-1-hydroxy-1-[[4-(1-indolyl)-1-oxobutyl]-methylamino]-3-oxo-1-butene-2-diazonium IUPAC Name: (E)-1-hydroxy-1-[4-indol-1-ylbutanoyl(methyl)amino]-3-oxobut-1-ene-2-diazonium Traditional Name: (E)-1-hydroxy-1-[4-indol-1-ylbutanoyl(methyl)amino]-3-keto-but-1-ene-2-diazonium Formula: C17H19N4O3+ MolecularWeight: 327.35776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(N(C)C(=O)CCCN1C=CC2=CC=CC=C21)O)[N+]#N

Isomeric SMILES

CC(=O)/C(=C(/N(C)C(=O)CCCN1C=CC2=CC=CC=C21)\O)/[N+]#N

InChI

InChI=1S/C17H18N4O3/c1-12(22)16(19-18)17(24)20(2)15(23)8-5-10-21-11-9-13-6-3-4-7-14(13)21/h3-4,6-7,9,11H,5,8,10H2,1-2H3/p+1