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

Systemtic Name: (E)-3-(2-butyl-1-benzofuran-3-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(2-butylbenzofuran-3-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(2-butyl-3-benzofuranyl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2-butyl-1-benzofuran-3-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(2-butylbenzofuran-3-yl)-1-(4-pyridin-1-ium-4-ylpiperazino)prop-2-en-1-one Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C=CC(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)/C=C/C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C24H27N3O2/c1-2-3-7-22-21(20-6-4-5-8-23(20)29-22)9-10-24(28)27-17-15-26(16-18-27)19-11-13-25-14-12-19/h4-6,8-14H,2-3,7,15-18H2,1H3/p+1/b10-9+