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

Systemtic Name: (E)-3-(3-phenoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-phenoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3-phenoxyphenyl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-phenoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-phenoxyphenyl)-1-(4-pyridin-1-ium-4-ylpiperazino)prop-2-en-1-one Formula: C24H24N3O2+ MolecularWeight: 386.46626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C=CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)/C=C/C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O2/c28-24(27-17-15-26(16-18-27)21-11-13-25-14-12-21)10-9-20-5-4-8-23(19-20)29-22-6-2-1-3-7-22/h1-14,19H,15-18H2/p+1/b10-9+