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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6,7-dimethyl-4-oxidanylidene-chromene-2-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6,7-dimethyl-4-oxo-chromene-2-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-6,7-dimethyl-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide Traditional Name: 4-keto-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6,7-dimethyl-chromene-2-carboxamide Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C=C(O2)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C=C(O2)C(=O)NC[C@@H](C3=CC=C(C=C3)OC)[NH+]4CCCC4)C

InChI

InChI=1S/C25H28N2O4/c1-16-12-20-22(28)14-24(31-23(20)13-17(16)2)25(29)26-15-21(27-10-4-5-11-27)18-6-8-19(30-3)9-7-18/h6-9,12-14,21H,4-5,10-11,15H2,1-3H3,(H,26,29)/p+1/t21-/m0/s1