5-nitro-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]furan-2-carboxamide

Systemtic Name: 5-nitro-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]furan-2-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-5-nitro-furan-2-carboxamide CAS Name: 5-nitro-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-5-nitro-2-furamide Formula: C22H23N4O4+ MolecularWeight: 407.44242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4/c27-22(20-10-11-21(30-20)26(28)29)23-18-6-8-19(9-7-18)25-14-12-24(13-15-25)16-17-4-2-1-3-5-17/h1-11H,12-16H2,(H,23,27)/p+1