N-[4-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methylideneamino]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methylideneamino]phenyl]ethanamide Openeye Name: N-[4-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methyleneamino]phenyl]acetamide CAS Name: N-[4-[[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]methylideneamino]phenyl]acetamide IUPAC Name: N-[4-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]methylideneamino]phenyl]acetamide Traditional Name: N-[4-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzylidene]amino]phenyl]acetamide Formula: C20H24N5O3+ MolecularWeight: 382.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N=CC2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N=CC2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O3/c1-15(26)22-18-6-4-17(5-7-18)21-14-16-3-8-19(20(13-16)25(27)28)24-11-9-23(2)10-12-24/h3-8,13-14H,9-12H2,1-2H3,(H,22,26)/p+1