(3-methyl-1-benzofuran-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-methyl-1-benzofuran-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (3-methylbenzofuran-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (3-methyl-2-benzofuranyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-methyl-1-benzofuran-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (3-methylbenzofuran-2-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C19H20N3O2+ MolecularWeight: 322.381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H19N3O2/c1-14-15-6-2-3-7-16(15)24-18(14)19(23)22-12-10-21(11-13-22)17-8-4-5-9-20-17/h2-9H,10-13H2,1H3/p+1