N-[(Z)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(Z)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(Z)-(5-bromo-2-methoxy-phenyl)methyleneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(Z)-(5-bromo-2-methoxy-benzylidene)amino]-1-(4-nitrobenzyl)piperidin-1-ium-4-carboxamide Formula: C21H24BrN4O4+ MolecularWeight: 476.34366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O4/c1-30-20-7-4-18(22)12-17(20)13-23-24-21(27)16-8-10-25(11-9-16)14-15-2-5-19(6-3-15)26(28)29/h2-7,12-13,16H,8-11,14H2,1H3,(H,24,27)/p+1/b23-13-