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

Systemtic Name: 2-(1H-indol-3-yl)-N-methyl-ethanamine; 2-sulfooxybenzoic acid Openeye Name: 2-(1H-indol-3-yl)-N-methyl-ethanamine; 2-sulfooxybenzoic acid CAS Name: 2-(1H-indol-3-yl)-N-methylethanamine; 2-sulfooxybenzoic acid IUPAC Name: 2-(1H-indol-3-yl)-N-methylethanamine; 2-sulfooxybenzoic acid Traditional Name: 2-(1H-indol-3-yl)ethyl-methyl-amine; 2-sulfoxybenzoic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC1=CNC2=CC=CC=C21.C1=CC=C(C(=C1)C(=O)O)OS(=O)(=O)O

Isomeric SMILES

CNCCC1=CNC2=CC=CC=C21.C1=CC=C(C(=C1)C(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C11H14N2.C7H6O6S/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11;8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h2-5,8,12-13H,6-7H2,1H3;1-4H,(H,8,9)(H,10,11,12)