3,3-dimethyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 3,3-dimethyl-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-1-one Traditional Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3,3-dimethyl-butan-1-one Formula: C19H29N2O+ MolecularWeight: 301.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CC[NH+](CC1)CC=CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CC(=O)N1CC[NH+](CC1)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C19H28N2O/c1-19(2,3)16-18(22)21-14-12-20(13-15-21)11-7-10-17-8-5-4-6-9-17/h4-10H,11-16H2,1-3H3/p+1/b10-7+