(E)-2-diazonio-1-[3-(2-indol-1-ylethyl)-2-oxidanylidene-piperidin-1-yl]-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: (E)-2-diazonio-1-[3-(2-indol-1-ylethyl)-2-oxidanylidene-piperidin-1-yl]-3-oxidanylidene-but-1-en-1-olate Openeye Name: (E)-2-diazonio-1-[3-(2-indol-1-ylethyl)-2-oxo-1-piperidyl]-3-oxo-but-1-en-1-olate CAS Name: (E)-2-diazonio-1-[3-[2-(1-indolyl)ethyl]-2-oxo-1-piperidinyl]-3-oxo-1-buten-1-olate IUPAC Name: (E)-2-diazonio-1-[3-(2-indol-1-ylethyl)-2-oxopiperidin-1-yl]-3-oxobut-1-en-1-olate Traditional Name: (E)-2-diazonio-1-[3-(2-indol-1-ylethyl)-2-keto-piperidino]-3-keto-but-1-en-1-olate Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(N1CCCC(C1=O)CCN2C=CC3=CC=CC=C32)[O-])[N+]#N

Isomeric SMILES

CC(=O)/C(=C(/N1CCCC(C1=O)CCN2C=CC3=CC=CC=C32)\[O-])/[N+]#N

InChI

InChI=1S/C19H20N4O3/c1-13(24)17(21-20)19(26)23-10-4-6-15(18(23)25)9-12-22-11-8-14-5-2-3-7-16(14)22/h2-3,5,7-8,11,15H,4,6,9-10,12H2,1H3