4-[[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propyl-amino]methyl]piperidine-1-sulfonic acid

Systemtic Name: 4-[[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propyl-amino]methyl]piperidine-1-sulfonic acid Openeye Name: 4-[[(6,7-dimethoxytetralin-2-yl)-propyl-amino]methyl]piperidine-1-sulfonic acid CAS Name: 4-[[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]methyl]-1-piperidinesulfonic acid IUPAC Name: 4-[[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]methyl]piperidine-1-sulfonic acid Traditional Name: 4-[[(6,7-dimethoxytetralin-2-yl)-propyl-amino]methyl]piperidine-1-sulfonic acid Formula: C21H34N2O5S MolecularWeight: 426.57006

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CCN(CC1)S(=O)(=O)O)C2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CCCN(CC1CCN(CC1)S(=O)(=O)O)C2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C21H34N2O5S/c1-4-9-22(15-16-7-10-23(11-8-16)29(24,25)26)19-6-5-17-13-20(27-2)21(28-3)14-18(17)12-19/h13-14,16,19H,4-12,15H2,1-3H3,(H,24,25,26)