(E)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-phenyl-acrylamide Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C=CC3=CC=CC=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3O/c1-3-24-13-15-25(16-14-24)20-10-11-21(18(2)17-20)23-22(26)12-9-19-7-5-4-6-8-19/h4-12,17H,3,13-16H2,1-2H3,(H,23,26)/p+1/b12-9+