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

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[4-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[4-[(7-methyl-2-oxo-chromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[4-[(7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[(2-keto-7-methyl-chromen-4-yl)methyl]piperazin-1-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C25H30N3O4+ MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)C

InChI

InChI=1S/C25H29N3O4/c1-17-5-7-22(31-3)21(12-17)26-24(29)16-28-10-8-27(9-11-28)15-19-14-25(30)32-23-13-18(2)4-6-20(19)23/h4-7,12-14H,8-11,15-16H2,1-3H3,(H,26,29)/p+1