(E)-3-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3,4-dimethoxyphenyl)-1-(4-methyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H22N2O3/c1-17-8-10-18(11-9-17)16(19)7-5-13-4-6-14(20-2)15(12-13)21-3/h4-7,12H,8-11H2,1-3H3/p+1/b7-5+