N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[(Z)-(5-nitro-2-furyl)methyleneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[(Z)-(5-nitro-2-furanyl)methylideneamino]-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[(Z)-(5-nitro-2-furyl)methyleneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C18H22N5O4+ MolecularWeight: 372.39838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)N/N=C\C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H21N5O4/c24-17(20-19-14-16-6-7-18(27-16)23(25)26)8-9-21-10-12-22(13-11-21)15-4-2-1-3-5-15/h1-7,14H,8-13H2,(H,20,24)/p+1/b19-14-