(E)-5-(1-methylpiperazin-1-ium-1-yl)-1-phenyl-pent-1-en-3-one

Systemtic Name: (E)-5-(1-methylpiperazin-1-ium-1-yl)-1-phenyl-pent-1-en-3-one Openeye Name: (E)-5-(1-methylpiperazin-1-ium-1-yl)-1-phenyl-pent-1-en-3-one CAS Name: (E)-5-(1-methyl-1-piperazin-1-iumyl)-1-phenyl-1-penten-3-one IUPAC Name: (E)-5-(1-methylpiperazin-1-ium-1-yl)-1-phenylpent-1-en-3-one Traditional Name: (E)-5-(1-methylpiperazin-1-ium-1-yl)-1-phenyl-pent-1-en-3-one Formula: C16H23N2O+ MolecularWeight: 259.36662

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CCC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C[N+]1(CCNCC1)CCC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C16H23N2O/c1-18(13-10-17-11-14-18)12-9-16(19)8-7-15-5-3-2-4-6-15/h2-8,17H,9-14H2,1H3/q+1/b8-7+