(E)-N-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[3-oxo-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[3-oxo-3-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[3-keto-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]-3-phenyl-acrylamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCNC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2/c27-21(7-6-19-4-2-1-3-5-19)24-13-10-22(28)26-16-14-25(15-17-26)18-20-8-11-23-12-9-20/h1-9,11-12H,10,13-18H2,(H,24,27)/p+1/b7-6+