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

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(3,4-dimethoxyphenyl)methyleneamino]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(Z)-veratrylideneamino]piperidin-1-ium-4-carboxamide Formula: C22H27BrN3O3+ MolecularWeight: 461.37208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N\NC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br)OC

InChI

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