sodium 2-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-4-sulfonate

Systemtic Name: sodium 2-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-4-sulfonate Openeye Name: sodium 2-[[bis(2-pyridylmethyl)amino]methyl]pyridine-4-sulfonate CAS Name: sodium 2-[[bis(2-pyridinylmethyl)amino]methyl]-4-pyridinesulfonate IUPAC Name: sodium 2-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-4-sulfonate Traditional Name: sodium 2-[[bis(2-pyridylmethyl)amino]methyl]pyridine-4-sulfonate Formula: C18H17N4NaO3S MolecularWeight: 392.40735

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=NC=CC(=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=NC=CC(=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H18N4O3S.Na/c23-26(24,25)18-7-10-21-17(11-18)14-22(12-15-5-1-3-8-19-15)13-16-6-2-4-9-20-16;/h1-11H,12-14H2,(H,23,24,25);/q;+1/p-1