N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-nitro-benzamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-nitro-benzamide Openeye Name: N-[(2R)-2-(2-furyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-nitro-benzamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-3-nitrobenzamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-nitrobenzamide Traditional Name: N-[(2R)-2-(2-furyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-nitro-benzamide Formula: C23H25N4O4+ MolecularWeight: 421.469

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O4/c28-23(18-6-4-9-20(16-18)27(29)30)24-17-21(22-10-5-15-31-22)26-13-11-25(12-14-26)19-7-2-1-3-8-19/h1-10,15-16,21H,11-14,17H2,(H,24,28)/p+1/t21-/m1/s1