3-(3,5-dimethylphenoxy)-4-oxidanylidene-8-(pyrrolidin-1-ylmethyl)chromen-7-olate; pyrrolidin-1-ium

Systemtic Name: 3-(3,5-dimethylphenoxy)-4-oxidanylidene-8-(pyrrolidin-1-ylmethyl)chromen-7-olate; pyrrolidin-1-ium Openeye Name: 3-(3,5-dimethylphenoxy)-4-oxo-8-(pyrrolidin-1-ylmethyl)chromen-7-olate; pyrrolidin-1-ium CAS Name: 3-(3,5-dimethylphenoxy)-4-oxo-8-(1-pyrrolidinylmethyl)-1-benzopyran-7-olate; pyrrolidin-1-ium IUPAC Name: 3-(3,5-dimethylphenoxy)-4-oxo-8-(pyrrolidin-1-ylmethyl)chromen-7-olate; pyrrolidin-1-ium Traditional Name: 3-(3,5-dimethylphenoxy)-4-keto-8-(pyrrolidinomethyl)chromen-7-olate; pyrrolidin-1-ium Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3CN4CCCC4)[O-])C.C1CC[NH2+]C1

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3CN4CCCC4)[O-])C.C1CC[NH2+]C1

InChI

InChI=1S/C22H23NO4.C4H9N/c1-14-9-15(2)11-16(10-14)27-20-13-26-22-17(21(20)25)5-6-19(24)18(22)12-23-7-3-4-8-23;1-2-4-5-3-1/h5-6,9-11,13,24H,3-4,7-8,12H2,1-2H3;5H,1-4H2