1-[(4-bromophenyl)methyl]-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methyleneamino]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(1,3-dimethyl-4-pyrazolyl)methylideneamino]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methylideneamino]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(Z)-(1,3-dimethylpyrazol-4-yl)methyleneamino]piperidin-1-ium-4-carboxamide Formula: C19H25BrN5O+ MolecularWeight: 419.3387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C=NNC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=NN(C=C1/C=N\NC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C19H24BrN5O/c1-14-17(13-24(2)23-14)11-21-22-19(26)16-7-9-25(10-8-16)12-15-3-5-18(20)6-4-15/h3-6,11,13,16H,7-10,12H2,1-2H3,(H,22,26)/p+1/b21-11-