[[5-(carboxymethyl)-4-phenyl-1,3-thiazol-2-yl]amino]-propan-2-ylidene-azanium bromide

Systemtic Name: [[5-(carboxymethyl)-4-phenyl-1,3-thiazol-2-yl]amino]-propan-2-ylidene-azanium bromide Openeye Name: [[5-(carboxymethyl)-4-phenyl-thiazol-2-yl]amino]-isopropylidene-ammonium bromide CAS Name: [[5-(carboxymethyl)-4-phenyl-2-thiazolyl]amino]-propan-2-ylideneammonium bromide IUPAC Name: [[5-(carboxymethyl)-4-phenyl-1,3-thiazol-2-yl]amino]-propan-2-ylideneazanium bromide Traditional Name: [[5-(carboxymethyl)-4-phenyl-thiazol-2-yl]amino]-isopropylidene-ammonium bromide Formula: C14H16BrN3O2S MolecularWeight: 370.26474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[NH+]NC1=NC(=C(S1)CC(=O)O)C2=CC=CC=C2)C.[Br-]

Isomeric SMILES

CC(=[NH+]NC1=NC(=C(S1)CC(=O)O)C2=CC=CC=C2)C.[Br-]

InChI

InChI=1S/C14H15N3O2S.BrH/c1-9(2)16-17-14-15-13(10-6-4-3-5-7-10)11(20-14)8-12(18)19;/h3-7H,8H2,1-2H3,(H,15,17)(H,18,19);1H