2-[4-[(6-ethoxy-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[4-[(6-ethoxy-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-(3-methylphenyl)ethanamide Openeye Name: 2-[4-[(6-ethoxy-2-oxo-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-(m-tolyl)acetamide CAS Name: 2-[4-[(6-ethoxy-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-1-iumyl]-N-methyl-N-(3-methylphenyl)acetamide IUPAC Name: 2-[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[4-[(6-ethoxy-2-keto-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-(m-tolyl)acetamide Formula: C26H32N3O4+ MolecularWeight: 450.54998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC(=O)N(C)C4=CC=CC(=C4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC(=O)N(C)C4=CC=CC(=C4)C

InChI

InChI=1S/C26H31N3O4/c1-4-32-22-8-9-24-23(16-22)20(15-26(31)33-24)17-28-10-12-29(13-11-28)18-25(30)27(3)21-7-5-6-19(2)14-21/h5-9,14-16H,4,10-13,17-18H2,1-3H3/p+1