7-bromanyl-N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-chromene-2-carboxamide

Systemtic Name: 7-bromanyl-N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-chromene-2-carboxamide Openeye Name: 7-bromo-N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxo-chromene-2-carboxamide CAS Name: 7-bromo-N-[(2R)-2-(4-tert-butylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: 7-bromo-N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-oxochromene-2-carboxamide Traditional Name: 7-bromo-N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-keto-chromene-2-carboxamide Formula: C26H30BrN2O3+ MolecularWeight: 498.432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC(=O)C3=C(O2)C=C(C=C3)Br)[NH+]4CCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=O)C3=C(O2)C=C(C=C3)Br)[NH+]4CCCC4

InChI

InChI=1S/C26H29BrN2O3/c1-26(2,3)18-8-6-17(7-9-18)21(29-12-4-5-13-29)16-28-25(31)24-15-22(30)20-11-10-19(27)14-23(20)32-24/h6-11,14-15,21H,4-5,12-13,16H2,1-3H3,(H,28,31)/p+1/t21-/m0/s1