N'-cycloheptyl-N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]ethanediamide

Systemtic Name: N'-cycloheptyl-N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]ethanediamide Openeye Name: N'-cycloheptyl-N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]oxamide CAS Name: N'-cycloheptyl-N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-morpholin-4-iumyl)ethyl]oxamide IUPAC Name: N'-cycloheptyl-N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-ylethyl]oxamide Traditional Name: N'-cycloheptyl-N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]oxamide Formula: C23H37N4O3+ MolecularWeight: 417.56488

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C(=O)NC2CCCCCC2)[NH+]3CCOCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](CNC(=O)C(=O)NC2CCCCCC2)[NH+]3CCOCC3

InChI

InChI=1S/C23H36N4O3/c1-26(2)20-11-9-18(10-12-20)21(27-13-15-30-16-14-27)17-24-22(28)23(29)25-19-7-5-3-4-6-8-19/h9-12,19,21H,3-8,13-17H2,1-2H3,(H,24,28)(H,25,29)/p+1/t21-/m0/s1