(E)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-nitrophenyl)acrylamide Formula: C20H22ClN4O3+ MolecularWeight: 401.86668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O3/c1-23-9-11-24(12-10-23)19-7-6-16(21)14-18(19)22-20(26)8-5-15-3-2-4-17(13-15)25(27)28/h2-8,13-14H,9-12H2,1H3,(H,22,26)/p+1/b8-5+