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

Systemtic Name: 3-(4-ethanoyl-5-methyl-furan-2-yl)-1-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]propan-1-one Openeye Name: 3-(4-acetyl-5-methyl-2-furyl)-1-[2-(isopropylamino)pyridin-1-ium-1-yl]propan-1-one CAS Name: 3-(4-acetyl-5-methyl-2-furanyl)-1-[2-(propan-2-ylamino)-1-pyridin-1-iumyl]-1-propanone IUPAC Name: 3-(4-acetyl-5-methylfuran-2-yl)-1-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]propan-1-one Traditional Name: 3-(4-acetyl-5-methyl-2-furyl)-1-[2-(isopropylamino)pyridin-1-ium-1-yl]propan-1-one Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CCC(=O)[N+]2=CC=CC=C2NC(C)C)C(=O)C

Isomeric SMILES

CC1=C(C=C(O1)CCC(=O)[N+]2=CC=CC=C2NC(C)C)C(=O)C

InChI

InChI=1S/C18H22N2O3/c1-12(2)19-17-7-5-6-10-20(17)18(22)9-8-15-11-16(13(3)21)14(4)23-15/h5-7,10-12H,8-9H2,1-4H3/p+1