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

Systemtic Name: N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methoxy-3-nitro-benzamide Formula: C20H24ClN4O4+ MolecularWeight: 419.88196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O4/c1-3-23-8-10-24(11-9-23)17-6-5-15(13-16(17)21)22-20(26)14-4-7-19(29-2)18(12-14)25(27)28/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,26)/p+1