4-bromanyl-1-methyl-N'-[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbonyl-pyrrole-2-carbohydrazide

Systemtic Name: 4-bromanyl-1-methyl-N'-[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbonyl-pyrrole-2-carbohydrazide Openeye Name: 4-bromo-1-methyl-N'-[4-(piperidin-1-ium-1-ylmethyl)benzoyl]pyrrole-2-carbohydrazide CAS Name: 4-bromo-1-methyl-N'-[oxo-[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-pyrrolecarbohydrazide IUPAC Name: 4-bromo-1-methyl-N'-[4-(piperidin-1-ium-1-ylmethyl)benzoyl]pyrrole-2-carbohydrazide Traditional Name: 4-bromo-1-methyl-N'-[4-(piperidin-1-ium-1-ylmethyl)benzoyl]pyrrole-2-carbohydrazide Formula: C19H24BrN4O2+ MolecularWeight: 420.32346

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NNC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)NNC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3)Br

InChI

InChI=1S/C19H23BrN4O2/c1-23-13-16(20)11-17(23)19(26)22-21-18(25)15-7-5-14(6-8-15)12-24-9-3-2-4-10-24/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,21,25)(H,22,26)/p+1