4-(1-methyl-4-prop-2-enoyl-piperazin-1-ium-1-yl)butanamide chloride

Systemtic Name: 4-(1-methyl-4-prop-2-enoyl-piperazin-1-ium-1-yl)butanamide chloride Openeye Name: 4-(1-methyl-4-prop-2-enoyl-piperazin-1-ium-1-yl)butanamide chloride CAS Name: 4-[1-methyl-4-(1-oxoprop-2-enyl)-1-piperazin-1-iumyl]butanamide chloride IUPAC Name: 4-(1-methyl-4-prop-2-enoylpiperazin-1-ium-1-yl)butanamide chloride Traditional Name: 4-(4-acryloyl-1-methyl-piperazin-1-ium-1-yl)butyramide chloride Formula: C12H22ClN3O2 MolecularWeight: 275.77498

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)C=C)CCCC(=O)N.[Cl-]

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)C=C)CCCC(=O)N.[Cl-]

InChI

InChI=1S/C12H21N3O2.ClH/c1-3-12(17)14-6-9-15(2,10-7-14)8-4-5-11(13)16;/h3H,1,4-10H2,2H3,(H-,13,16);1H