2-[4-[(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[(6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[(6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C21H27ClN3O3+ MolecularWeight: 404.91038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3CC[NH+](CC3)CC(=O)NCC=C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3CC[NH+](CC3)CC(=O)NCC=C)Cl

InChI

InChI=1S/C21H26ClN3O3/c1-3-5-23-20(26)14-25-8-6-24(7-9-25)13-16-11-21(27)28-19-10-15(4-2)18(22)12-17(16)19/h3,10-12H,1,4-9,13-14H2,2H3,(H,23,26)/p+1