2-(1H-indol-3-yl)-N,N-dimethyl-ethanamine; 2-sulfooxybenzoic acid

Systemtic Name: 2-(1H-indol-3-yl)-N,N-dimethyl-ethanamine; 2-sulfooxybenzoic acid Openeye Name: 2-(1H-indol-3-yl)-N,N-dimethyl-ethanamine; 2-sulfooxybenzoic acid CAS Name: 2-(1H-indol-3-yl)-N,N-dimethylethanamine; 2-sulfooxybenzoic acid IUPAC Name: 2-(1H-indol-3-yl)-N,N-dimethylethanamine; 2-sulfooxybenzoic acid Traditional Name: 2-(1H-indol-3-yl)ethyl-dimethyl-amine; 2-sulfoxybenzoic acid Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CNC2=CC=CC=C21.C1=CC=C(C(=C1)C(=O)O)OS(=O)(=O)O

Isomeric SMILES

CN(C)CCC1=CNC2=CC=CC=C21.C1=CC=C(C(=C1)C(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C12H16N2.C7H6O6S/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12;8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h3-6,9,13H,7-8H2,1-2H3;1-4H,(H,8,9)(H,10,11,12)