(E)-3-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-methoxyphenyl)-1-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-methoxyphenyl)-1-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-methoxyphenyl)-1-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)N2CC[NH+](CC2)CCC3=CC=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)CCC3=CC=CC=N3

InChI

InChI=1S/C21H25N3O2/c1-26-20-8-5-18(6-9-20)7-10-21(25)24-16-14-23(15-17-24)13-11-19-4-2-3-12-22-19/h2-10,12H,11,13-17H2,1H3/p+1/b10-7+