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

Systemtic Name: N-tert-butyl-2-[4-(4-prop-2-enoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-allyloxybenzoyl)piperazin-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[4-[oxo-(4-prop-2-enoxyphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(4-prop-2-enoxybenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(4-allyloxybenzoyl)piperazin-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C20H30N3O3+ MolecularWeight: 360.4705

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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)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3/c1-5-14-26-17-8-6-16(7-9-17)19(25)23-12-10-22(11-13-23)15-18(24)21-20(2,3)4/h5-9H,1,10-15H2,2-4H3,(H,21,24)/p+1