2-[4-[(6-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[4-[(6-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[4-[(6-ethyl-2-oxo-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[4-[(6-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-1-iumyl]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[4-[(6-ethyl-2-keto-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-mesityl-acetamide Formula: C27H34N3O3+ MolecularWeight: 448.57716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC(=O)NC4=C(C=C(C=C4C)C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC(=O)NC4=C(C=C(C=C4C)C)C

InChI

InChI=1S/C27H33N3O3/c1-5-21-6-7-24-23(14-21)22(15-26(32)33-24)16-29-8-10-30(11-9-29)17-25(31)28-27-19(3)12-18(2)13-20(27)4/h6-7,12-15H,5,8-11,16-17H2,1-4H3,(H,28,31)/p+1