N-(3,5-dimethoxyphenyl)-2-[4-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[4-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-[4-[(7-methyl-2-oxo-chromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[4-[(7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3,5-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=CC(=CC(=C4)OC)OC

Isomeric SMILES

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

InChI

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