N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-oxo-chromene-3-carboxamide CAS Name: N-[(2R)-2-(4-tert-butylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-oxochromene-3-carboxamide Traditional Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-keto-chromene-3-carboxamide Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O3/c1-26(2,3)20-12-10-18(11-13-20)22(28-14-6-7-15-28)17-27-24(29)21-16-19-8-4-5-9-23(19)31-25(21)30/h4-5,8-13,16,22H,6-7,14-15,17H2,1-3H3,(H,27,29)/p+1/t22-/m0/s1