1-[(4-bromophenyl)methyl]-N-[(Z)-(4-ethoxy-3-oxidanyl-phenyl)methylideneamino]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(4-ethoxy-3-oxidanyl-phenyl)methylideneamino]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(4-ethoxy-3-hydroxy-phenyl)methyleneamino]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(Z)-(4-ethoxy-3-hydroxy-benzylidene)amino]piperidin-1-ium-4-carboxamide Formula: C22H27BrN3O3+ MolecularWeight: 461.37208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=NNC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=N\NC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C22H26BrN3O3/c1-2-29-21-8-5-17(13-20(21)27)14-24-25-22(28)18-9-11-26(12-10-18)15-16-3-6-19(23)7-4-16/h3-8,13-14,18,27H,2,9-12,15H2,1H3,(H,25,28)/p+1/b24-14-