N-[4-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylamino]phenyl]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[4-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylamino]phenyl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[4-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methylamino]phenyl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[4-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methylamino]phenyl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[4-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylamino]phenyl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[4-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methylamino]phenyl]-2-morpholin-4-ium-4-yl-acetamide Formula: C26H32N3O4+ MolecularWeight: 450.54998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CNC3=CC=C(C=C3)NC(=O)C[NH+]4CCOCC4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CNC3=CC=C(C=C3)NC(=O)C[NH+]4CCOCC4)C(C)C

InChI

InChI=1S/C26H31N3O4/c1-17(2)22-14-23-19(13-26(31)33-24(23)12-18(22)3)15-27-20-4-6-21(7-5-20)28-25(30)16-29-8-10-32-11-9-29/h4-7,12-14,17,27H,8-11,15-16H2,1-3H3,(H,28,30)/p+1