N-[(Z)-(2-nitrophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide

Systemtic Name: N-[(Z)-(2-nitrophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Openeye Name: N-[(Z)-(2-nitrophenyl)methyleneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide CAS Name: N-[(Z)-(2-nitrophenyl)methylideneamino]-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]benzamide IUPAC Name: N-[(Z)-(2-nitrophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Traditional Name: N-[(Z)-(2-nitrobenzylidene)amino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Formula: C25H26N5O3+ MolecularWeight: 444.50564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(=O)NN=CC3=CC=CC=C3[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O3/c31-25(27-26-18-22-6-4-5-9-24(22)30(32)33)21-12-10-20(11-13-21)19-28-14-16-29(17-15-28)23-7-2-1-3-8-23/h1-13,18H,14-17,19H2,(H,27,31)/p+1/b26-18-