(E)-1-[5-indol-1-ylpentanoyl(methyl)amino]-1-oxidanyl-3-oxidanylidene-but-1-ene-2-diazonium

Systemtic Name: (E)-1-[5-indol-1-ylpentanoyl(methyl)amino]-1-oxidanyl-3-oxidanylidene-but-1-ene-2-diazonium Openeye Name: (E)-1-hydroxy-1-[5-indol-1-ylpentanoyl(methyl)amino]-3-oxo-but-1-ene-2-diazonium CAS Name: (E)-1-hydroxy-1-[[5-(1-indolyl)-1-oxopentyl]-methylamino]-3-oxo-1-butene-2-diazonium IUPAC Name: (E)-1-hydroxy-1-[5-indol-1-ylpentanoyl(methyl)amino]-3-oxobut-1-ene-2-diazonium Traditional Name: (E)-1-hydroxy-1-[5-indol-1-ylpentanoyl(methyl)amino]-3-keto-but-1-ene-2-diazonium Formula: C18H21N4O3+ MolecularWeight: 341.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(N(C)C(=O)CCCCN1C=CC2=CC=CC=C21)O)[N+]#N

Isomeric SMILES

CC(=O)/C(=C(/N(C)C(=O)CCCCN1C=CC2=CC=CC=C21)\O)/[N+]#N

InChI

InChI=1S/C18H20N4O3/c1-13(23)17(20-19)18(25)21(2)16(24)9-5-6-11-22-12-10-14-7-3-4-8-15(14)22/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3/p+1