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

Systemtic Name: N'-cyclohexyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ethanediamide Openeye Name: N'-cyclohexyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]oxamide CAS Name: N'-cyclohexyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]oxamide IUPAC Name: N'-cyclohexyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]oxamide Traditional Name: N'-cyclohexyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]oxamide Formula: C23H38N5O2+ MolecularWeight: 416.58012

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)C(=O)NC2CCCCC2)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=O)C(=O)NC2CCCCC2)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C23H37N5O2/c1-26(2)20-11-9-18(10-12-20)21(28-15-13-27(3)14-16-28)17-24-22(29)23(30)25-19-7-5-4-6-8-19/h9-12,19,21H,4-8,13-17H2,1-3H3,(H,24,29)(H,25,30)/p+1/t21-/m1/s1