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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3/c26-21(10-9-18-5-4-8-20(17-18)25(27)28)22-11-12-23-13-15-24(16-14-23)19-6-2-1-3-7-19/h1-10,17H,11-16H2,(H,22,26)/p+1/b10-9+