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

Systemtic Name: 2-chloranyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-nitro-aniline Openeye Name: 2-chloro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-nitro-aniline CAS Name: 2-chloro-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-nitroaniline IUPAC Name: 2-chloro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-nitroaniline Traditional Name: (2-chloro-4-nitro-phenyl)-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amine Formula: C17H20ClN4O2+ MolecularWeight: 347.8193

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H19ClN4O2/c1-20-8-10-21(11-9-20)14-4-2-13(3-5-14)19-17-7-6-15(22(23)24)12-16(17)18/h2-7,12,19H,8-11H2,1H3/p+1