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

Systemtic Name: 2-azaniumyl-4-[3-(1H-indol-3-yl)propyl-methyl-sulfonio]butanoate perchlorate Openeye Name: 2-azaniumyl-4-[3-(1H-indol-3-yl)propyl-methyl-sulfonio]butanoate perchlorate CAS Name: 2-ammonio-4-[3-(1H-indol-3-yl)propyl-methylsulfonio]butanoate perchlorate IUPAC Name: 2-azaniumyl-4-[3-(1H-indol-3-yl)propyl-methylsulfonio]butanoate perchlorate Traditional Name: 2-ammonio-4-[3-(1H-indol-3-yl)propyl-methyl-sulfonio]butyrate perchlorate Formula: C16H23ClN2O6S MolecularWeight: 406.88162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[S+](CCCC1=CNC2=CC=CC=C21)CCC(C(=O)[O-])[NH3+].[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[S+](CCCC1=CNC2=CC=CC=C21)CCC(C(=O)[O-])[NH3+].[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H22N2O2S.ClHO4/c1-21(10-8-14(17)16(19)20)9-4-5-12-11-18-15-7-3-2-6-13(12)15;2-1(3,4)5/h2-3,6-7,11,14,18H,4-5,8-10,17H2,1H3;(H,2,3,4,5)