N-[2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]ethyl]pyridine-2-carboxamide

Systemtic Name: N-[2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]ethyl]pyridine-2-carboxamide Openeye Name: N-[2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]ethyl]pyridine-2-carboxamide CAS Name: N-[2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]ethyl]-2-pyridinecarboxamide IUPAC Name: N-[2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-ium-1-yl]ethyl]pyridine-2-carboxamide Traditional Name: N-[2-[4-[(E)-3-phenylacryloyl]piperazin-1-ium-1-yl]ethyl]picolinamide Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C2=CC=CC=N2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C2=CC=CC=N2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2/c26-20(10-9-18-6-2-1-3-7-18)25-16-14-24(15-17-25)13-12-23-21(27)19-8-4-5-11-22-19/h1-11H,12-17H2,(H,23,27)/p+1/b10-9+