3-bromanyl-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide

Systemtic Name: 3-bromanyl-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide Openeye Name: 3-bromo-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide CAS Name: 3-bromo-N-[(1-methyl-4-piperidin-1-iumylidene)amino]benzamide IUPAC Name: 3-bromo-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide Traditional Name: 3-bromo-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide Formula: C13H17BrN3O+ MolecularWeight: 311.19758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrN3O/c1-17-7-5-12(6-8-17)15-16-13(18)10-3-2-4-11(14)9-10/h2-4,9H,5-8H2,1H3,(H,16,18)/p+1