2-nitro-5-piperazin-4-ium-1-yl-benzaldehyde chloride

Systemtic Name: 2-nitro-5-piperazin-4-ium-1-yl-benzaldehyde chloride Openeye Name: 2-nitro-5-piperazin-4-ium-1-yl-benzaldehyde chloride CAS Name: 2-nitro-5-(1-piperazin-4-iumyl)benzaldehyde chloride IUPAC Name: 2-nitro-5-piperazin-4-ium-1-ylbenzaldehyde chloride Traditional Name: 2-nitro-5-piperazin-4-ium-1-yl-benzaldehyde chloride Formula: C11H14ClN3O3 MolecularWeight: 271.70016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])C=O.[Cl-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])C=O.[Cl-]

InChI

InChI=1S/C11H13N3O3.ClH/c15-8-9-7-10(1-2-11(9)14(16)17)13-5-3-12-4-6-13;/h1-2,7-8,12H,3-6H2;1H