2-azaniumyl-4-[4-(1H-indol-3-yl)butyl-methyl-sulfonio]butanoate perchlorate

Systemtic Name: 2-azaniumyl-4-[4-(1H-indol-3-yl)butyl-methyl-sulfonio]butanoate perchlorate Openeye Name: 2-azaniumyl-4-[4-(1H-indol-3-yl)butyl-methyl-sulfonio]butanoate perchlorate CAS Name: 2-ammonio-4-[4-(1H-indol-3-yl)butyl-methylsulfonio]butanoate perchlorate IUPAC Name: 2-azaniumyl-4-[4-(1H-indol-3-yl)butyl-methylsulfonio]butanoate perchlorate Traditional Name: 2-ammonio-4-[4-(1H-indol-3-yl)butyl-methyl-sulfonio]butyrate perchlorate Formula: C17H25ClN2O6S MolecularWeight: 420.9082

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](CCCCC1=CNC2=CC=CC=C21)CCC(C(=O)[O-])[NH3+].[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[S+](CCCCC1=CNC2=CC=CC=C21)CCC(C(=O)[O-])[NH3+].[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C17H24N2O2S.ClHO4/c1-22(11-9-15(18)17(20)21)10-5-4-6-13-12-19-16-8-3-2-7-14(13)16;2-1(3,4)5/h2-3,7-8,12,15,19H,4-6,9-11,18H2,1H3;(H,2,3,4,5)