(4,4-dihexyl-1,2-dihydrothieno[2,3-c]chromen-9-yl) 4-pyrrolidin-1-ylbutanoate hydrobromide

Systemtic Name: (4,4-dihexyl-1,2-dihydrothieno[2,3-c]chromen-9-yl) 4-pyrrolidin-1-ylbutanoate hydrobromide Openeye Name: (4,4-dihexyl-1,2-dihydrothieno[2,3-c]chromen-9-yl) 4-pyrrolidin-1-ylbutanoate hydrobromide CAS Name: 4-(1-pyrrolidinyl)butanoic acid (4,4-dihexyl-1,2-dihydrothieno[2,3-c][1]benzopyran-9-yl) ester hydrobromide IUPAC Name: (4,4-dihexyl-1,2-dihydrothieno[2,3-c]chromen-9-yl) 4-pyrrolidin-1-ylbutanoate hydrobromide Traditional Name: 4-pyrrolidinobutyric acid (4,4-dihexyl-1,2-dihydrothieno[2,3-c]chromen-9-yl) ester hydrobromide Formula: C31H48BrNO3S MolecularWeight: 594.68672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C2=C(CCS2)C3=C(O1)C=CC=C3OC(=O)CCCN4CCCC4)CCCCCC.Br

Isomeric SMILES

CCCCCCC1(C2=C(CCS2)C3=C(O1)C=CC=C3OC(=O)CCCN4CCCC4)CCCCCC.Br

InChI

InChI=1S/C31H47NO3S.BrH/c1-3-5-7-9-19-31(20-10-8-6-4-2)30-25(18-24-36-30)29-26(15-13-16-27(29)35-31)34-28(33)17-14-23-32-21-11-12-22-32;/h13,15-16H,3-12,14,17-24H2,1-2H3;1H