N-(2,5-dimethoxyphenyl)-2-[4-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-[4-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-[4-[(7-methyl-2-oxo-chromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[4-[(7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-[4-[(2-keto-7-methyl-chromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C25H30N3O5+ MolecularWeight: 452.5228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CC[NH+](CC3)CC(=O)NC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CC[NH+](CC3)CC(=O)NC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C25H29N3O5/c1-17-4-6-20-18(13-25(30)33-23(20)12-17)15-27-8-10-28(11-9-27)16-24(29)26-21-14-19(31-2)5-7-22(21)32-3/h4-7,12-14H,8-11,15-16H2,1-3H3,(H,26,29)/p+1