3-nitro-4-(4-propylpiperazin-4-ium-1-yl)benzaldehyde

Systemtic Name: 3-nitro-4-(4-propylpiperazin-4-ium-1-yl)benzaldehyde Openeye Name: 3-nitro-4-(4-propylpiperazin-4-ium-1-yl)benzaldehyde CAS Name: 3-nitro-4-(4-propyl-1-piperazin-4-iumyl)benzaldehyde IUPAC Name: 3-nitro-4-(4-propylpiperazin-4-ium-1-yl)benzaldehyde Traditional Name: 3-nitro-4-(4-propylpiperazin-4-ium-1-yl)benzaldehyde Formula: C14H20N3O3+ MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C=O)[N+](=O)[O-]

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O3/c1-2-5-15-6-8-16(9-7-15)13-4-3-12(11-18)10-14(13)17(19)20/h3-4,10-11H,2,5-9H2,1H3/p+1