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

Systemtic Name: 4-chloranyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzamide Formula: C18H20ClN4O3+ MolecularWeight: 375.8294

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

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