N-[(E)-1-(4-bromophenyl)ethylideneamino]-1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(E)-1-(4-bromophenyl)ethylideneamino]-1-(4-chlorobenzyl)piperidin-1-ium-4-carboxamide Formula: C21H24BrClN3O+ MolecularWeight: 449.79176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Br

Isomeric SMILES

C/C(=N\NC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)Cl)/C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrClN3O/c1-15(17-4-6-19(22)7-5-17)24-25-21(27)18-10-12-26(13-11-18)14-16-2-8-20(23)9-3-16/h2-9,18H,10-14H2,1H3,(H,25,27)/p+1/b24-15+