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

Systemtic Name: (E)-3-(4-propoxyphenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-propoxyphenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(4-propoxyphenyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-propoxyphenyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-propoxyphenyl)-1-(4-pyridin-1-ium-2-ylpiperazino)prop-2-en-1-one Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H25N3O2/c1-2-17-26-19-9-6-18(7-10-19)8-11-21(25)24-15-13-23(14-16-24)20-5-3-4-12-22-20/h3-12H,2,13-17H2,1H3/p+1/b11-8+