sodium oxidanyl-[2-[[(1S)-1-phenylethyl]amino]pyridin-1-ium-4-yl]methanesulfonate chloride

Systemtic Name: sodium oxidanyl-[2-[[(1S)-1-phenylethyl]amino]pyridin-1-ium-4-yl]methanesulfonate chloride Openeye Name: sodium hydroxy-[2-[[(1S)-1-phenylethyl]amino]pyridin-1-ium-4-yl]methanesulfonate chloride CAS Name: sodium hydroxy-[2-[[(1S)-1-phenylethyl]amino]-4-pyridin-1-iumyl]methanesulfonate chloride IUPAC Name: sodium hydroxy-[2-[[(1S)-1-phenylethyl]amino]pyridin-1-ium-4-yl]methanesulfonate chloride Traditional Name: sodium hydroxy-[2-[[(1S)-1-phenylethyl]amino]pyridin-1-ium-4-yl]methanesulfonate chloride Formula: C14H16ClN2NaO4S MolecularWeight: 366.79561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=[NH+]C=CC(=C2)C(O)S(=O)(=O)[O-].[Na+].[Cl-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC2=[NH+]C=CC(=C2)C(O)S(=O)(=O)[O-].[Na+].[Cl-]

InChI

InChI=1S/C14H16N2O4S.ClH.Na/c1-10(11-5-3-2-4-6-11)16-13-9-12(7-8-15-13)14(17)21(18,19)20;;/h2-10,14,17H,1H3,(H,15,16)(H,18,19,20);1H;/q;;+1/p-1/t10-,14?;;/m0../s1