7,8-dimethyl-4-(morpholin-4-ium-4-ylmethyl)chromen-2-one

Systemtic Name: 7,8-dimethyl-4-(morpholin-4-ium-4-ylmethyl)chromen-2-one Openeye Name: 7,8-dimethyl-4-(morpholin-4-ium-4-ylmethyl)chromen-2-one CAS Name: 7,8-dimethyl-4-(4-morpholin-4-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-(morpholin-4-ium-4-ylmethyl)chromen-2-one Traditional Name: 7,8-dimethyl-4-(morpholin-4-ium-4-ylmethyl)coumarin Formula: C16H20NO3+ MolecularWeight: 274.3349

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCOCC3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCOCC3)C

InChI

InChI=1S/C16H19NO3/c1-11-3-4-14-13(10-17-5-7-19-8-6-17)9-15(18)20-16(14)12(11)2/h3-4,9H,5-8,10H2,1-2H3/p+1