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

Systemtic Name: (E)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-pyridin-1-ium-2-ylpiperazino)-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)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H25N3O4/c1-26-17-14-16(15-18(27-2)21(17)28-3)7-8-20(25)24-12-10-23(11-13-24)19-6-4-5-9-22-19/h4-9,14-15H,10-13H2,1-3H3/p+1/b8-7+