N-tert-butyl-2-[4-(3-phenoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(3-phenoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(3-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[oxo-(3-phenoxyphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(3-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(3-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(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

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

InChI

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