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

Systemtic Name: N-[2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-N'-propan-2-yl-ethanediamide Openeye Name: N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-isopropyl-oxamide CAS Name: N-[2-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-N'-propan-2-yloxamide IUPAC Name: N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-propan-2-yloxamide Traditional Name: N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-ium-1-yl]ethyl]-N'-isopropyl-oxamide Formula: C22H35N4O3+ MolecularWeight: 403.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=O)NCC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)NC(=O)C(=O)NCC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H34N4O3/c1-16(2)24-20(28)19(27)23-10-11-25-12-14-26(15-13-25)21(29)17-6-8-18(9-7-17)22(3,4)5/h6-9,16H,10-15H2,1-5H3,(H,23,27)(H,24,28)/p+1