N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-nitro-benzamide

Systemtic Name: N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-nitro-benzamide Openeye Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-nitro-benzamide CAS Name: N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-nitrobenzamide IUPAC Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-nitrobenzamide Traditional Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-nitro-benzamide Formula: C19H22ClN4O3+ MolecularWeight: 389.85598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O3/c1-2-22-9-11-23(12-10-22)18-8-5-15(20)13-17(18)21-19(25)14-3-6-16(7-4-14)24(26)27/h3-8,13H,2,9-12H2,1H3,(H,21,25)/p+1