3-[ethanoyl(2-pyridin-1-ium-1-ylethyl)amino]propane-1-sulfonate

Systemtic Name: 3-[ethanoyl(2-pyridin-1-ium-1-ylethyl)amino]propane-1-sulfonate Openeye Name: 3-[acetyl(2-pyridin-1-ium-1-ylethyl)amino]propane-1-sulfonate CAS Name: 3-[acetyl-[2-(1-pyridin-1-iumyl)ethyl]amino]-1-propanesulfonate IUPAC Name: 3-[acetyl(2-pyridin-1-ium-1-ylethyl)amino]propane-1-sulfonate Traditional Name: 3-[acetyl(2-pyridin-1-ium-1-ylethyl)amino]propane-1-sulfonate Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCCS(=O)(=O)[O-])CC[N+]1=CC=CC=C1

Isomeric SMILES

CC(=O)N(CCCS(=O)(=O)[O-])CC[N+]1=CC=CC=C1

InChI

InChI=1S/C12H18N2O4S/c1-12(15)14(8-5-11-19(16,17)18)10-9-13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3