N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2H-chromene-3-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2H-chromene-3-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2H-chromene-3-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2H-1-benzopyran-3-carboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2H-chromene-3-carboxamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2H-chromene-3-carboxamide Formula: C23H27N2O3+ MolecularWeight: 379.47208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=CC=CC=C3OC2)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC3=CC=CC=C3OC2)[NH+]4CCCC4

InChI

InChI=1S/C23H26N2O3/c1-27-20-10-8-17(9-11-20)21(25-12-4-5-13-25)15-24-23(26)19-14-18-6-2-3-7-22(18)28-16-19/h2-3,6-11,14,21H,4-5,12-13,15-16H2,1H3,(H,24,26)/p+1/t21-/m0/s1