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

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-nitro-benzamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-nitro-benzamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-nitrobenzamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-nitrobenzamide Traditional Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-nitro-benzamide Formula: C18H20ClN4O3+ MolecularWeight: 375.8294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O3/c1-21-8-10-22(11-9-21)17-7-4-14(19)12-16(17)20-18(24)13-2-5-15(6-3-13)23(25)26/h2-7,12H,8-11H2,1H3,(H,20,24)/p+1