[2-[(4-chloranyl-2-nitro-phenyl)amino]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [2-(4-chloro-2-nitro-anilino)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [2-(4-chloro-2-nitroanilino)phenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-(4-chloro-2-nitroanilino)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-(4-chloro-2-nitro-anilino)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C18H20ClN4O3+ MolecularWeight: 375.8294

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

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