3,4,8-trimethyl-7-oxidanyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 3,4,8-trimethyl-7-oxidanyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 7-hydroxy-3,4,8-trimethyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 7-hydroxy-3,4,8-trimethyl-6-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-3,4,8-trimethyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 7-hydroxy-3,4,8-trimethyl-6-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C17H22NO3+ MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3/c1-10-11(2)17(20)21-16-12(3)15(19)13(8-14(10)16)9-18-6-4-5-7-18/h8,19H,4-7,9H2,1-3H3/p+1