N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6,7-dimethyl-4-oxidanylidene-chromene-2-carboxamide

Systemtic Name: N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6,7-dimethyl-4-oxidanylidene-chromene-2-carboxamide Openeye Name: N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6,7-dimethyl-4-oxo-chromene-2-carboxamide CAS Name: N-[(2R)-2-(4-ethylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-6,7-dimethyl-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide Traditional Name: N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-keto-6,7-dimethyl-chromene-2-carboxamide Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=O)C2=CC(=O)C3=CC(=C(C=C3O2)C)C)[NH+]4CCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=O)C3=CC(=C(C=C3O2)C)C)[NH+]4CCCC4

InChI

InChI=1S/C26H30N2O3/c1-4-19-7-9-20(10-8-19)22(28-11-5-6-12-28)16-27-26(30)25-15-23(29)21-13-17(2)18(3)14-24(21)31-25/h7-10,13-15,22H,4-6,11-12,16H2,1-3H3,(H,27,30)/p+1/t22-/m0/s1