N'-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-prop-2-enyl-ethanediamide

Systemtic Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-prop-2-enyl-ethanediamide Openeye Name: N-allyl-N'-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]oxamide CAS Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-N-prop-2-enyloxamide IUPAC Name: N'-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-prop-2-enyloxamide Traditional Name: N-allyl-N'-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]oxamide Formula: C20H32N5O2+ MolecularWeight: 374.50038

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)C(=O)NCC=C)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=O)C(=O)NCC=C)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C20H31N5O2/c1-5-10-21-19(26)20(27)22-15-18(25-13-11-24(4)12-14-25)16-6-8-17(9-7-16)23(2)3/h5-9,18H,1,10-15H2,2-4H3,(H,21,26)(H,22,27)/p+1/t18-/m1/s1