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

Systemtic Name: N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methyl-3-nitro-benzamide Formula: C20H24ClN4O3+ MolecularWeight: 403.88256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O3/c1-3-23-9-11-24(12-10-23)19-8-7-15(13-17(19)21)22-20(26)16-5-4-6-18(14(16)2)25(27)28/h4-8,13H,3,9-12H2,1-2H3,(H,22,26)/p+1