N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-methyl-2-nitro-benzamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-methyl-2-nitro-benzamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-methyl-2-nitro-benzamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-methyl-2-nitrobenzamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-methyl-2-nitro-benzamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O3/c1-3-22-11-13-23(14-12-22)18-10-5-4-9-17(18)21-20(25)16-8-6-7-15(2)19(16)24(26)27/h4-10H,3,11-14H2,1-2H3,(H,21,25)/p+1