(E)-1-(1-pyridin-2-ylpiperazin-1-ium-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(1-pyridin-2-ylpiperazin-1-ium-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-[1-(2-pyridyl)piperazin-1-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[1-(2-pyridinyl)-1-piperazin-1-iumyl]-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(1-pyridin-2-ylpiperazin-1-ium-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[1-(2-pyridyl)piperazin-1-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC(=O)[N+]2(CCNCC2)C3=CC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)[N+]2(CCNCC2)C3=CC=CC=N3

InChI

InChI=1S/C21H26N3O4/c1-26-17-14-16(15-18(27-2)21(17)28-3)7-8-20(25)24(12-10-22-11-13-24)19-6-4-5-9-23-19/h4-9,14-15,22H,10-13H2,1-3H3/q+1/b8-7+