3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzaldehyde

Systemtic Name: 3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzaldehyde Openeye Name: 3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzaldehyde CAS Name: 3-nitro-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]benzaldehyde IUPAC Name: 3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzaldehyde Traditional Name: 3-nitro-4-(4-pyridin-1-ium-2-ylpiperazino)benzaldehyde Formula: C16H17N4O3+ MolecularWeight: 313.33118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C=O)[N+](=O)[O-])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C=O)[N+](=O)[O-])C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H16N4O3/c21-12-13-4-5-14(15(11-13)20(22)23)18-7-9-19(10-8-18)16-3-1-2-6-17-16/h1-6,11-12H,7-10H2/p+1