N-[2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-(4-ethylphenyl)ethanediamide

Systemtic Name: N-[2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-(4-ethylphenyl)ethanediamide Openeye Name: N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-ethylphenyl)oxamide CAS Name: N-[2-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-N'-(4-ethylphenyl)oxamide IUPAC Name: N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-ethylphenyl)oxamide Traditional Name: N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-(4-ethylphenyl)oxamide Formula: C27H37N4O3+ MolecularWeight: 465.60768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H36N4O3/c1-5-20-6-12-23(13-7-20)29-25(33)24(32)28-14-15-30-16-18-31(19-17-30)26(34)21-8-10-22(11-9-21)27(2,3)4/h6-13H,5,14-19H2,1-4H3,(H,28,32)(H,29,33)/p+1