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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C17H23ClN2O3+2 MolecularWeight: 338.82912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O3/c1-12-8-16-14(10-15(12)18)13(9-17(21)23-16)11-19-2-3-20-4-6-22-7-5-20/h8-10,19H,2-7,11H2,1H3/p+2