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

Systemtic Name: N'-cyclopentyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ethanediamide Openeye Name: N'-cyclopentyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]oxamide CAS Name: N'-cyclopentyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]oxamide IUPAC Name: N'-cyclopentyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]oxamide Traditional Name: N'-cyclopentyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]oxamide Formula: C22H36N5O2+ MolecularWeight: 402.55354

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)C(=O)NC2CCCC2)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=O)C(=O)NC2CCCC2)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H35N5O2/c1-25(2)19-10-8-17(9-11-19)20(27-14-12-26(3)13-15-27)16-23-21(28)22(29)24-18-6-4-5-7-18/h8-11,18,20H,4-7,12-16H2,1-3H3,(H,23,28)(H,24,29)/p+1/t20-/m1/s1