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

Systemtic Name: 2-ethyl-1-[(2-methoxyphenyl)methyl]-6-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-ethyl-1-[(2-methoxyphenyl)methyl]-6-methyl-pyridin-4-one CAS Name: 2-ethyl-1-[(2-methoxyphenyl)methyl]-6-methyl-3-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-4-pyridinone IUPAC Name: 2-ethyl-1-[(2-methoxyphenyl)methyl]-6-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-ethyl-6-methyl-1-o-anisyl-4-pyridone Formula: C30H36N3O3+ MolecularWeight: 486.62514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC2=CC=CC=C2OC)C)C(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=O)C=C(N1CC2=CC=CC=C2OC)C)C(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C30H35N3O3/c1-4-26-29(27(34)21-23(2)33(26)22-25-14-8-9-15-28(25)36-3)30(35)32-19-17-31(18-20-32)16-10-13-24-11-6-5-7-12-24/h5-15,21H,4,16-20,22H2,1-3H3/p+1/b13-10+