[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]-[3-(2-phosphonosulfanylethylazaniumyl)propyl]azanium

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]-[3-(2-phosphonosulfanylethylazaniumyl)propyl]azanium Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl]-[3-(2-phosphonosulfanylethylammonio)propyl]ammonium CAS Name: [2-(1H-indol-3-yl)-2-oxoethyl]-[3-[2-(phosphonothio)ethylammonio]propyl]ammonium IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl]-[3-(2-phosphonosulfanylethylazaniumyl)propyl]azanium Traditional Name: [2-(1H-indol-3-yl)-2-keto-ethyl]-[3-[2-(phosphonothio)ethylammonio]propyl]ammonium Formula: C15H24N3O4PS+2 MolecularWeight: 373.407521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(=O)C[NH2+]CCC[NH2+]CCSP(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)C[NH2+]CCC[NH2+]CCSP(=O)(O)O

InChI

InChI=1S/C15H22N3O4PS/c19-15(13-10-18-14-5-2-1-4-12(13)14)11-17-7-3-6-16-8-9-24-23(20,21)22/h1-2,4-5,10,16-18H,3,6-9,11H2,(H2,20,21,22)/p+2