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

Systemtic Name: 4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate Openeye Name: 3-benzyl-4,7-dimethyl-2-oxo-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate CAS Name: 4,7-dimethyl-2-oxo-3-(phenylmethyl)-6-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-5-olate IUPAC Name: 3-benzyl-4,7-dimethyl-2-oxo-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate Traditional Name: 3-benzyl-2-keto-4,7-dimethyl-6-(pyrrolidin-1-ium-1-ylmethyl)chromen-5-olate Formula: C23H25NO3 MolecularWeight: 363.4495

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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