N-tert-butyl-2-[4-(3,4,5-triethoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(3,4,5-triethoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[oxo-(3,4,5-triethoxyphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H38N3O5+ MolecularWeight: 436.56492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C23H37N3O5/c1-7-29-18-14-17(15-19(30-8-2)21(18)31-9-3)22(28)26-12-10-25(11-13-26)16-20(27)24-23(4,5)6/h14-15H,7-13,16H2,1-6H3,(H,24,27)/p+1