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

Systemtic Name: (E)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-3-phenyl-1-(4-veratrylpiperazin-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=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C=CC3=CC=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c1-26-20-10-8-19(16-21(20)27-2)17-23-12-14-24(15-13-23)22(25)11-9-18-6-4-3-5-7-18/h3-11,16H,12-15,17H2,1-2H3/p+1/b11-9+