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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=NC=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=NC=C2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2/c1-18(24-21(27)8-7-19-5-3-2-4-6-19)22(28)26-15-13-25(14-16-26)17-20-9-11-23-12-10-20/h2-12,18H,13-17H2,1H3,(H,24,27)/p+1/b8-7+/t18-/m0/s1