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

Systemtic Name: 2-chloranyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-5-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=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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