N-[(Z)-(3-bromanyl-4,5-dimethoxy-phenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(Z)-(3-bromanyl-4,5-dimethoxy-phenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(Z)-(3-bromo-4,5-dimethoxy-phenyl)methyleneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(Z)-(3-bromo-4,5-dimethoxy-benzylidene)amino]-1-(4-nitrobenzyl)piperidin-1-ium-4-carboxamide Formula: C22H26BrN4O5+ MolecularWeight: 506.36964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN4O5/c1-31-20-12-16(11-19(23)21(20)32-2)13-24-25-22(28)17-7-9-26(10-8-17)14-15-3-5-18(6-4-15)27(29)30/h3-6,11-13,17H,7-10,14H2,1-2H3,(H,25,28)/p+1/b24-13-