2-(3-sulfopropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(3-sulfopropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(3-sulfopropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(3-sulfopropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(3-sulfopropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(3-sulfopropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CCCS(=O)(=O)O)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)CCCS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C13H17NO5S/c15-13(16)12-8-10-4-1-2-5-11(10)9-14(12)6-3-7-20(17,18)19/h1-2,4-5,12H,3,6-9H2,(H,15,16)(H,17,18,19)