[3-(phenoxymethyl)-1-benzofuran-2-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(phenoxymethyl)-1-benzofuran-2-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: [3-(phenoxymethyl)benzofuran-2-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [3-(phenoxymethyl)-2-benzofuranyl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [3-(phenoxymethyl)-1-benzofuran-2-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: [3-(phenoxymethyl)benzofuran-2-yl]-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C25H24N3O3+ MolecularWeight: 414.47636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3/c29-25(28-16-14-27(15-17-28)19-10-12-26-13-11-19)24-22(18-30-20-6-2-1-3-7-20)21-8-4-5-9-23(21)31-24/h1-13H,14-18H2/p+1