2-cyclopropyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-pyridin-4-one

Systemtic Name: 2-cyclopropyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-pyridin-4-one Openeye Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-2-cyclopropyl-6-methyl-1-[(5-methyl-2-furyl)methyl]pyridin-4-one CAS Name: 2-cyclopropyl-6-methyl-1-[(5-methyl-2-furanyl)methyl]-3-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-4-pyridinone IUPAC Name: 2-cyclopropyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]pyridin-4-one Traditional Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-2-cyclopropyl-6-methyl-1-[(5-methyl-2-furyl)methyl]-4-pyridone Formula: C29H34N3O3+ MolecularWeight: 472.59856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2C(=CC(=O)C(=C2C3CC3)C(=O)N4CC[NH+](CC4)CC=CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(O1)CN2C(=CC(=O)C(=C2C3CC3)C(=O)N4CC[NH+](CC4)C/C=C/C5=CC=CC=C5)C

InChI

InChI=1S/C29H33N3O3/c1-21-19-26(33)27(28(24-11-12-24)32(21)20-25-13-10-22(2)35-25)29(34)31-17-15-30(16-18-31)14-6-9-23-7-4-3-5-8-23/h3-10,13,19,24H,11-12,14-18,20H2,1-2H3/p+1/b9-6+