2-(2-carboxyindol-1-yl)ethyl-(dimethylamino)-sulfonyl-azanium

Systemtic Name: 2-(2-carboxyindol-1-yl)ethyl-(dimethylamino)-sulfonyl-azanium Openeye Name: 2-(2-carboxyindol-1-yl)ethyl-(dimethylamino)-sulfonyl-ammonium CAS Name: 2-(2-carboxy-1-indolyl)ethyl-(dimethylamino)-sulfonylammonium IUPAC Name: 2-(2-carboxyindol-1-yl)ethyl-(dimethylamino)-sulfonylazanium Traditional Name: 2-(2-carboxyindol-1-yl)ethyl-(dimethylamino)-sulfonyl-ammonium Formula: C13H16N3O4S+ MolecularWeight: 310.34884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)[N+](=S(=O)=O)CCN1C2=CC=CC=C2C=C1C(=O)O

Isomeric SMILES

CN(C)[N+](=S(=O)=O)CCN1C2=CC=CC=C2C=C1C(=O)O

InChI

InChI=1S/C13H15N3O4S/c1-14(2)16(21(19)20)8-7-15-11-6-4-3-5-10(11)9-12(15)13(17)18/h3-6,9H,7-8H2,1-2H3/p+1