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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2/c27-22(12-11-20-7-3-1-4-8-20)24-14-13-23(28)26-17-15-25(16-18-26)19-21-9-5-2-6-10-21/h1-12H,13-19H2,(H,24,27)/p+1/b12-11+