5,7-dimethyl-4-(morpholin-4-ium-4-ylmethyl)chromen-2-one

Systemtic Name: 5,7-dimethyl-4-(morpholin-4-ium-4-ylmethyl)chromen-2-one Openeye Name: 5,7-dimethyl-4-(morpholin-4-ium-4-ylmethyl)chromen-2-one CAS Name: 5,7-dimethyl-4-(4-morpholin-4-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 5,7-dimethyl-4-(morpholin-4-ium-4-ylmethyl)chromen-2-one Traditional Name: 5,7-dimethyl-4-(morpholin-4-ium-4-ylmethyl)coumarin Formula: C16H20NO3+ MolecularWeight: 274.3349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO3/c1-11-7-12(2)16-13(9-15(18)20-14(16)8-11)10-17-3-5-19-6-4-17/h7-9H,3-6,10H2,1-2H3/p+1