(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-(2-methyl-2-morpholin-4-ium-4-yl-propyl)azanium

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-(2-methyl-2-morpholin-4-ium-4-yl-propyl)azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-(2-methyl-2-morpholin-4-ium-4-yl-propyl)ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[2-methyl-2-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-(2-methyl-2-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-(2-methyl-2-morpholin-4-ium-4-yl-propyl)ammonium Formula: C19H27ClN2O3+2 MolecularWeight: 366.88228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CC(C)(C)[NH+]3CCOCC3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CC(C)(C)[NH+]3CCOCC3)Cl

InChI

InChI=1S/C19H25ClN2O3/c1-13-8-17-15(10-16(13)20)14(9-18(23)25-17)11-21-12-19(2,3)22-4-6-24-7-5-22/h8-10,21H,4-7,11-12H2,1-3H3/p+2