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

Systemtic Name: (E)-3-(2-methoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-methoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-methoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(2-methoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-methoxyphenyl)-1-(4-p-anisylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C=CC3=CC=CC=C3OC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3OC

InChI

InChI=1S/C22H26N2O3/c1-26-20-10-7-18(8-11-20)17-23-13-15-24(16-14-23)22(25)12-9-19-5-3-4-6-21(19)27-2/h3-12H,13-17H2,1-2H3/p+1/b12-9+