5-bromanyl-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-oxidanyl-benzamide

Systemtic Name: 5-bromanyl-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-oxidanyl-benzamide Openeye Name: 5-bromo-2-hydroxy-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide CAS Name: 5-bromo-2-hydroxy-N-[(1-methyl-4-piperidin-1-iumylidene)amino]benzamide IUPAC Name: 5-bromo-2-hydroxy-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide Traditional Name: 5-bromo-2-hydroxy-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide Formula: C13H17BrN3O2+ MolecularWeight: 327.19698

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NNC(=O)C2=C(C=CC(=C2)Br)O)CC1

Isomeric SMILES

C[NH+]1CCC(=NNC(=O)C2=C(C=CC(=C2)Br)O)CC1

InChI

InChI=1S/C13H16BrN3O2/c1-17-6-4-10(5-7-17)15-16-13(19)11-8-9(14)2-3-12(11)18/h2-3,8,18H,4-7H2,1H3,(H,16,19)/p+1