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

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[4-[(6-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[4-[(6-ethyl-2-oxo-chromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[4-[(6-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorobenzyl)-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)NCC4=CC=CC=C4Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC(=O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C25H28ClN3O3/c1-2-18-7-8-23-21(13-18)20(14-25(31)32-23)16-28-9-11-29(12-10-28)17-24(30)27-15-19-5-3-4-6-22(19)26/h3-8,13-14H,2,9-12,15-17H2,1H3,(H,27,30)/p+1