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

Systemtic Name: 4-chloranyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitro-benzamide Formula: C19H22ClN4O3+ MolecularWeight: 389.85598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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