(5-chloranyl-1-benzofuran-2-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: (5-chloranyl-1-benzofuran-2-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (5-chlorobenzofuran-2-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: (5-chloro-2-benzofuranyl)-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (5-chloro-1-benzofuran-2-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (5-chlorobenzofuran-2-yl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C18H17ClN3O2+ MolecularWeight: 342.79948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C18H16ClN3O2/c19-14-1-2-16-13(11-14)12-17(24-16)18(23)22-9-7-21(8-10-22)15-3-5-20-6-4-15/h1-6,11-12H,7-10H2/p+1