N'-cyclopropyl-N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-3-yl-ethyl]ethanediamide

Systemtic Name: N'-cyclopropyl-N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-3-yl-ethyl]ethanediamide Openeye Name: N'-cyclopropyl-N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-thienyl)ethyl]oxamide CAS Name: N'-cyclopropyl-N-[(2S)-2-(4-methyl-1-piperazin-4-iumyl)-2-(3-thiophenyl)ethyl]oxamide IUPAC Name: N'-cyclopropyl-N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-3-ylethyl]oxamide Traditional Name: N'-cyclopropyl-N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-(3-thienyl)ethyl]oxamide Formula: C16H25N4O2S+ MolecularWeight: 337.4603

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)C(=O)NC2CC2)C3=CSC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=O)C(=O)NC2CC2)C3=CSC=C3

InChI

InChI=1S/C16H24N4O2S/c1-19-5-7-20(8-6-19)14(12-4-9-23-11-12)10-17-15(21)16(22)18-13-2-3-13/h4,9,11,13-14H,2-3,5-8,10H2,1H3,(H,17,21)(H,18,22)/p+1/t14-/m1/s1