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

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-methyl-4-nitro-benzamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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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)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3/c1-3-22-10-12-23(13-11-22)18-7-5-17(6-8-18)21-20(25)16-4-9-19(24(26)27)15(2)14-16/h4-9,14H,3,10-13H2,1-2H3,(H,21,25)/p+1