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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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