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

Systemtic Name: N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-methyl-4-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=CC(=C(C=C3)[N+](=O)[O-])C)Cl

Isomeric SMILES

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

InChI

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