(E)-3-phenyl-1-[4-[3-(1-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-phenyl-1-[4-[3-(1-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]prop-2-en-1-one Openeye Name: (E)-3-phenyl-1-[4-[3-(1-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]prop-2-en-1-one CAS Name: (E)-3-phenyl-1-[4-[3-(1-phenyl-1-piperazin-1-iumyl)propoxy]phenyl]-2-propen-1-one IUPAC Name: (E)-3-phenyl-1-[4-[3-(1-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]prop-2-en-1-one Traditional Name: (E)-3-phenyl-1-[4-[3-(1-phenylpiperazin-1-ium-1-yl)propoxy]phenyl]prop-2-en-1-one Formula: C28H31N2O2+ MolecularWeight: 427.55794

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CCCOC2=CC=C(C=C2)C(=O)C=CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[N+](CCN1)(CCCOC2=CC=C(C=C2)C(=O)/C=C/C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N2O2/c31-28(17-12-24-8-3-1-4-9-24)25-13-15-27(16-14-25)32-23-7-20-30(21-18-29-19-22-30)26-10-5-2-6-11-26/h1-6,8-17,29H,7,18-23H2/q+1/b17-12+