4-methyl-7-oxidanyl-3-(phenylmethyl)-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4-methyl-7-oxidanyl-3-(phenylmethyl)-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 3-benzyl-7-hydroxy-4-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 7-hydroxy-4-methyl-3-(phenylmethyl)-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-7-hydroxy-4-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 3-benzyl-7-hydroxy-4-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C22H24NO3+ MolecularWeight: 350.43086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3)O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCC3)O)CC4=CC=CC=C4

InChI

InChI=1S/C22H23NO3/c1-15-17-9-10-20(24)19(14-23-11-5-6-12-23)21(17)26-22(25)18(15)13-16-7-3-2-4-8-16/h2-4,7-10,24H,5-6,11-14H2,1H3/p+1