4-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzaldehyde

Systemtic Name: 4-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzaldehyde Openeye Name: 4-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzaldehyde CAS Name: 4-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-3-nitrobenzaldehyde IUPAC Name: 4-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-nitrobenzaldehyde Traditional Name: 4-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzaldehyde Formula: C16H17BrN3O3S+ MolecularWeight: 411.29348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C16H16BrN3O3S/c17-16-4-2-13(24-16)10-18-5-7-19(8-6-18)14-3-1-12(11-21)9-15(14)20(22)23/h1-4,9,11H,5-8,10H2/p+1