4-tert-butyl-N-[2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]benzamide Openeye Name: 4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-ium-1-yl]ethyl]benzamide CAS Name: 4-tert-butyl-N-[2-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-ium-1-yl]ethyl]benzamide Traditional Name: 4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-ium-1-yl]ethyl]benzamide Formula: C28H40N3O2+ MolecularWeight: 450.6361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O2/c1-27(2,3)23-11-7-21(8-12-23)25(32)29-15-16-30-17-19-31(20-18-30)26(33)22-9-13-24(14-10-22)28(4,5)6/h7-14H,15-20H2,1-6H3,(H,29,32)/p+1