2-(1H-indol-3-yl)-N-methyl-ethanamine; 2-oxidanyl-5-sulfo-benzoic acid

Systemtic Name: 2-(1H-indol-3-yl)-N-methyl-ethanamine; 2-oxidanyl-5-sulfo-benzoic acid Openeye Name: 2-hydroxy-5-sulfo-benzoic acid; 2-(1H-indol-3-yl)-N-methyl-ethanamine CAS Name: 2-hydroxy-5-sulfobenzoic acid; 2-(1H-indol-3-yl)-N-methylethanamine IUPAC Name: 2-hydroxy-5-sulfobenzoic acid; 2-(1H-indol-3-yl)-N-methylethanamine Traditional Name: 2-hydroxy-5-sulfo-benzoic acid; 2-(1H-indol-3-yl)ethyl-methyl-amine Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC1=CNC2=CC=CC=C21.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O

Isomeric SMILES

CNCCC1=CNC2=CC=CC=C21.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O

InChI

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