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

Systemtic Name: 6-chloranyl-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-7-methyl-4-oxidanylidene-chromene-2-carboxamide Openeye Name: 6-chloro-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-7-methyl-4-oxo-chromene-2-carboxamide CAS Name: 6-chloro-N-[(2R)-2-(4-ethylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-7-methyl-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: 6-chloro-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-7-methyl-4-oxochromene-2-carboxamide Traditional Name: 6-chloro-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-keto-7-methyl-chromene-2-carboxamide Formula: C25H28ClN2O3+ MolecularWeight: 439.95442

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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)Cl)[NH+]4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN2O3/c1-3-17-6-8-18(9-7-17)21(28-10-4-5-11-28)15-27-25(30)24-14-22(29)19-13-20(26)16(2)12-23(19)31-24/h6-9,12-14,21H,3-5,10-11,15H2,1-2H3,(H,27,30)/p+1/t21-/m0/s1