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

Systemtic Name: (E)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-nitrophenyl)acrylamide Formula: C20H23N4O3+ MolecularWeight: 367.42162

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3/c1-22-11-13-23(14-12-22)19-8-3-2-7-18(19)21-20(25)10-9-16-5-4-6-17(15-16)24(26)27/h2-10,15H,11-14H2,1H3,(H,21,25)/p+1/b10-9+