3-methyl-4-oxidanylidene-2-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]chromene-8-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-2-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]chromene-8-carboxamide Openeye Name: 3-methyl-4-oxo-2-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]chromene-8-carboxamide CAS Name: 3-methyl-4-oxo-2-phenyl-N-[4-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]-1-benzopyran-8-carboxamide IUPAC Name: 3-methyl-4-oxo-2-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]chromene-8-carboxamide Traditional Name: 4-keto-3-methyl-2-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]chromene-8-carboxamide Formula: C25H24N3O3S+ MolecularWeight: 446.54136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NC3=NC(=CS3)C[NH+]4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NC3=NC(=CS3)C[NH+]4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3S/c1-16-21(29)19-10-7-11-20(23(19)31-22(16)17-8-3-2-4-9-17)24(30)27-25-26-18(15-32-25)14-28-12-5-6-13-28/h2-4,7-11,15H,5-6,12-14H2,1H3,(H,26,27,30)/p+1