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2-[1-(1-ethanoylindol-3-yl)-2-nitro-ethyl]sulfanylethylazanium

2-[1-(1-ethanoylindol-3-yl)-2-nitro-ethyl]sulfanylethylazanium

Systemtic Name:2-[1-(1-ethanoylindol-3-yl)-2-nitro-ethyl]sulfanylethylazanium
Openeye Name:2-[1-(1-acetylindol-3-yl)-2-nitro-ethyl]sulfanylethylammonium
CAS Name:2-[[1-(1-acetyl-3-indolyl)-2-nitroethyl]thio]ethylammonium
IUPAC Name:2-[1-(1-acetylindol-3-yl)-2-nitroethyl]sulfanylethylazanium
Traditional Name:2-[[1-(1-acetylindol-3-yl)-2-nitro-ethyl]thio]ethylammonium
Formula: C14H18N3O3S+
MolecularWeight: 308.37602
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)C(C[N+](=O)[O-])SCC[NH3+]


Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)C(C[N+](=O)[O-])SCC[NH3+]


InChI

InChI=1S/C14H17N3O3S/c1-10(18)16-8-12(11-4-2-3-5-13(11)16)14(9-17(19)20)21-7-6-15/h2-5,8,14H,6-7,9,15H2,1H3/p+1


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