4,7-dimethyl-5-oxidanyl-3-(phenylmethyl)-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4,7-dimethyl-5-oxidanyl-3-(phenylmethyl)-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 3-benzyl-5-hydroxy-4,7-dimethyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 5-hydroxy-4,7-dimethyl-3-(phenylmethyl)-6-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-5-hydroxy-4,7-dimethyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 3-benzyl-5-hydroxy-4,7-dimethyl-6-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C23H26NO3+ MolecularWeight: 364.45744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1C[NH+]4CCCC4)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1C[NH+]4CCCC4)O

InChI

InChI=1S/C23H25NO3/c1-15-12-20-21(22(25)19(15)14-24-10-6-7-11-24)16(2)18(23(26)27-20)13-17-8-4-3-5-9-17/h3-5,8-9,12,25H,6-7,10-11,13-14H2,1-2H3/p+1