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

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]piperidin-1-ium-4-carboxamide Formula: C22H27BrN3O2+ MolecularWeight: 445.37268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O2/c1-16(18-5-9-21(28-2)10-6-18)24-25-22(27)19-11-13-26(14-12-19)15-17-3-7-20(23)8-4-17/h3-10,19H,11-15H2,1-2H3,(H,25,27)/p+1/b24-16+