(E)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-nitrophenyl)acrylamide Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3/c1-2-23-12-14-24(15-13-23)19-9-7-18(8-10-19)22-21(26)11-6-17-4-3-5-20(16-17)25(27)28/h3-11,16H,2,12-15H2,1H3,(H,22,26)/p+1/b11-6+