N-[[1-[[4-(bromomethyl)phenyl]methyl]pyridin-1-ium-3-yl]methyl]sulfamate

Systemtic Name: N-[[1-[[4-(bromomethyl)phenyl]methyl]pyridin-1-ium-3-yl]methyl]sulfamate Openeye Name: N-[[1-[[4-(bromomethyl)phenyl]methyl]pyridin-1-ium-3-yl]methyl]sulfamate CAS Name: N-[[1-[[4-(bromomethyl)phenyl]methyl]-3-pyridin-1-iumyl]methyl]sulfamate IUPAC Name: N-[[1-[[4-(bromomethyl)phenyl]methyl]pyridin-1-ium-3-yl]methyl]sulfamate Traditional Name: N-[[1-[4-(bromomethyl)benzyl]pyridin-1-ium-3-yl]methyl]sulfamate Formula: C14H15BrN2O3S MolecularWeight: 371.2495

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC2=CC=C(C=C2)CBr)CNS(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CC2=CC=C(C=C2)CBr)CNS(=O)(=O)[O-]

InChI

InChI=1S/C14H15BrN2O3S/c15-8-12-3-5-13(6-4-12)10-17-7-1-2-14(11-17)9-16-21(18,19)20/h1-7,11,16H,8-10H2