(E)-3-(4-prop-2-enoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-prop-2-enoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-allyloxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(4-prop-2-enoxyphenyl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-prop-2-enoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-allyloxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazino)prop-2-en-1-one Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

C=CCOC1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C21H23N3O2/c1-2-17-26-20-6-3-18(4-7-20)5-8-21(25)24-15-13-23(14-16-24)19-9-11-22-12-10-19/h2-12H,1,13-17H2/p+1/b8-5+