1-[(4-bromophenyl)methyl]-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(5-nitro-2-thienyl)methyleneamino]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(5-nitro-2-thiophenyl)methylideneamino]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(Z)-(5-nitro-2-thienyl)methyleneamino]piperidin-1-ium-4-carboxamide Formula: C18H20BrN4O3S+ MolecularWeight: 452.3454

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-])CC3=CC=C(C=C3)Br

Isomeric SMILES

C1C[NH+](CCC1C(=O)N/N=C\C2=CC=C(S2)[N+](=O)[O-])CC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H19BrN4O3S/c19-15-3-1-13(2-4-15)12-22-9-7-14(8-10-22)18(24)21-20-11-16-5-6-17(27-16)23(25)26/h1-6,11,14H,7-10,12H2,(H,21,24)/p+1/b20-11-