(E)-N-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-3-thiophen-3-yl-prop-2-enamide

Systemtic Name: (E)-N-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-3-thiophen-3-yl-prop-2-enamide Openeye Name: (E)-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-methyl-3-(3-thienyl)prop-2-enamide CAS Name: (E)-N-methyl-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-3-(3-thiophenyl)-2-propenamide IUPAC Name: (E)-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide Traditional Name: (E)-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-methyl-3-(3-thienyl)acrylamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)/C=C/C3=CSC=C3

InChI

InChI=1S/C21H25N3O2S/c1-22(20(25)8-7-19-9-14-27-17-19)16-21(26)24-12-10-23(11-13-24)15-18-5-3-2-4-6-18/h2-9,14,17H,10-13,15-16H2,1H3/p+1/b8-7+