(E)-3-(4-bromophenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-bromophenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-bromophenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-bromophenyl)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(4-bromophenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-bromophenyl)-1-(4-p-anisylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C21H24BrN2O2+ MolecularWeight: 416.33146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN2O2/c1-26-20-9-4-18(5-10-20)16-23-12-14-24(15-13-23)21(25)11-6-17-2-7-19(22)8-3-17/h2-11H,12-16H2,1H3/p+1/b11-6+