(E)-3-(2,4-dimethoxyphenyl)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2,4-dimethoxyphenyl)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one CAS Name: (E)-3-(2,4-dimethoxyphenyl)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one Formula: C28H31N2O3+ MolecularWeight: 443.55734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=CC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C28H30N2O3/c1-32-25-15-13-22(26(21-25)33-2)14-16-27(31)29-17-19-30(20-18-29)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-16,21,28H,17-20H2,1-2H3/p+1/b16-14+