(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-[4-(1H-indol-3-yl)butyl]-methyl-sulfanium

Systemtic Name: (3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-[4-(1H-indol-3-yl)butyl]-methyl-sulfanium Openeye Name: (3-amino-4-hydroxy-4-oxo-butyl)-[4-(1H-indol-3-yl)butyl]-methyl-sulfonium CAS Name: (3-amino-4-hydroxy-4-oxobutyl)-[4-(1H-indol-3-yl)butyl]-methylsulfonium IUPAC Name: (3-amino-4-hydroxy-4-oxobutyl)-[4-(1H-indol-3-yl)butyl]-methylsulfanium Traditional Name: (3-amino-4-hydroxy-4-keto-butyl)-[4-(1H-indol-3-yl)butyl]-methyl-sulfonium Formula: C17H25N2O2S+ MolecularWeight: 321.4576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[S+](CCCCC1=CNC2=CC=CC=C21)CCC(C(=O)O)N

Isomeric SMILES

C[S+](CCCCC1=CNC2=CC=CC=C21)CCC(C(=O)O)N

InChI

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