3-bromanyl-N-[(E)-(1-nitro-2-piperidin-1-ium-1-yl-ethylidene)amino]aniline

Systemtic Name: 3-bromanyl-N-[(E)-(1-nitro-2-piperidin-1-ium-1-yl-ethylidene)amino]aniline Openeye Name: 3-bromo-N-[(E)-(1-nitro-2-piperidin-1-ium-1-yl-ethylidene)amino]aniline CAS Name: 3-bromo-N-[(E)-[1-nitro-2-(1-piperidin-1-iumyl)ethylidene]amino]aniline IUPAC Name: 3-bromo-N-[(E)-(1-nitro-2-piperidin-1-ium-1-ylethylidene)amino]aniline Traditional Name: (3-bromophenyl)-[(E)-(1-nitro-2-piperidin-1-ium-1-yl-ethylidene)amino]amine Formula: C13H18BrN4O2+ MolecularWeight: 342.21162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=NNC2=CC(=CC=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)C/C(=N\NC2=CC(=CC=C2)Br)/[N+](=O)[O-]

InChI

InChI=1S/C13H17BrN4O2/c14-11-5-4-6-12(9-11)15-16-13(18(19)20)10-17-7-2-1-3-8-17/h4-6,9,15H,1-3,7-8,10H2/p+1/b16-13+