N-(5-chloranyl-2-methyl-phenyl)-2-[4-[(6-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-[4-[(6-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-2-[4-[(6-ethyl-2-oxo-chromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-methylphenyl)-2-[4-[(6-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-methylphenyl)-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-2-[4-[(6-ethyl-2-keto-chromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C25H29ClN3O3+ MolecularWeight: 454.96906

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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=CC(=C4)Cl)C

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC(=O)NC4=C(C=CC(=C4)Cl)C

InChI

InChI=1S/C25H28ClN3O3/c1-3-18-5-7-23-21(12-18)19(13-25(31)32-23)15-28-8-10-29(11-9-28)16-24(30)27-22-14-20(26)6-4-17(22)2/h4-7,12-14H,3,8-11,15-16H2,1-2H3,(H,27,30)/p+1