N-tert-butyl-2-[4-(4-phenoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(4-phenoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[oxo-(4-phenoxyphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-23(2,3)24-21(27)17-25-13-15-26(16-14-25)22(28)18-9-11-20(12-10-18)29-19-7-5-4-6-8-19/h4-12H,13-17H2,1-3H3,(H,24,27)/p+1