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

Systemtic Name: N-(3-bromophenyl)-2-[4-[(6-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-bromophenyl)-2-[4-[(6-ethyl-2-oxo-chromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-bromophenyl)-2-[4-[(6-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-bromophenyl)-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-bromophenyl)-2-[4-[(6-ethyl-2-keto-chromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C24H27BrN3O3+ MolecularWeight: 485.39348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26BrN3O3/c1-2-17-6-7-22-21(12-17)18(13-24(30)31-22)15-27-8-10-28(11-9-27)16-23(29)26-20-5-3-4-19(25)14-20/h3-7,12-14H,2,8-11,15-16H2,1H3,(H,26,29)/p+1