2-ethyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridin-4-one

Systemtic Name: 2-ethyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridin-4-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-ethyl-6-methyl-1-[(5-methyl-2-furyl)methyl]pyridin-4-one CAS Name: 2-ethyl-6-methyl-1-[(5-methyl-2-furanyl)methyl]-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-4-pyridinone IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-ethyl-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-ethyl-6-methyl-1-[(5-methyl-2-furyl)methyl]-4-pyridone Formula: C26H32N3O3+ MolecularWeight: 434.55058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC2=CC=C(O2)C)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=O)C=C(N1CC2=CC=C(O2)C)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O3/c1-4-23-25(24(30)16-19(2)29(23)18-22-11-10-20(3)32-22)26(31)28-14-12-27(13-15-28)17-21-8-6-5-7-9-21/h5-11,16H,4,12-15,17-18H2,1-3H3/p+1