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

Systemtic Name: (E)-N-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]-3-phenyl-acrylamide Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2/c1-19(24-22(27)13-12-20-8-4-2-5-9-20)23(28)26-16-14-25(15-17-26)18-21-10-6-3-7-11-21/h2-13,19H,14-18H2,1H3,(H,24,27)/p+1/b13-12+/t19-/m0/s1