4,8-dimethyl-7-oxidanyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4,8-dimethyl-7-oxidanyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 7-hydroxy-4,8-dimethyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 7-hydroxy-4,8-dimethyl-6-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4,8-dimethyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 7-hydroxy-4,8-dimethyl-6-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C16H20NO3+ MolecularWeight: 274.3349

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C(C(=C(C=C12)C[NH+]3CCCC3)O)C

Isomeric SMILES

CC1=CC(=O)OC2=C(C(=C(C=C12)C[NH+]3CCCC3)O)C

InChI

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