N-tert-butyl-2-[4-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(E)-3-(3,4-dichlorophenyl)-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(E)-3-(3,4-dichlorophenyl)acryloyl]piperazin-1-ium-1-yl]acetamide Formula: C19H26Cl2N3O2+ MolecularWeight: 399.33464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H25Cl2N3O2/c1-19(2,3)22-17(25)13-23-8-10-24(11-9-23)18(26)7-5-14-4-6-15(20)16(21)12-14/h4-7,12H,8-11,13H2,1-3H3,(H,22,25)/p+1/b7-5+