3-(4-ethanoyl-5-methyl-furan-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4-ethanoyl-5-methyl-furan-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-acetyl-5-methyl-2-furyl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(4-acetyl-5-methyl-2-furanyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-acetyl-5-methylfuran-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(4-acetyl-5-methyl-2-furyl)-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C19H24N3O3+ MolecularWeight: 342.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C(=O)C

Isomeric SMILES

CC1=C(C=C(O1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C(=O)C

InChI

InChI=1S/C19H23N3O3/c1-14(23)17-13-16(25-15(17)2)6-7-19(24)22-11-9-21(10-12-22)18-5-3-4-8-20-18/h3-5,8,13H,6-7,9-12H2,1-2H3/p+1