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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[(7-methyl-2-oxo-chromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[(2-keto-7-methyl-chromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C25H30N3O3+ MolecularWeight: 420.524

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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(=C4C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CC[NH+](CC3)CC(=O)NC4=CC=CC(=C4C)C

InChI

InChI=1S/C25H29N3O3/c1-17-7-8-21-20(14-25(30)31-23(21)13-17)15-27-9-11-28(12-10-27)16-24(29)26-22-6-4-5-18(2)19(22)3/h4-8,13-14H,9-12,15-16H2,1-3H3,(H,26,29)/p+1