5-[(2S)-1-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-[(2S)-1-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-[(6-methyl-4-oxo-chromen-3-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: 5-[(2S)-1-[(6-methyl-4-oxo-1-benzopyran-3-yl)methyl]-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: 5-[(2S)-1-[(6-methyl-4-oxochromen-3-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: 5-[(2S)-1-[(4-keto-6-methyl-chromen-3-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C20H21N2O3S+ MolecularWeight: 369.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCCC3C4=CC=C(S4)C(=O)N

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCC[C@H]3C4=CC=C(S4)C(=O)N

InChI

InChI=1S/C20H20N2O3S/c1-12-4-5-16-14(9-12)19(23)13(11-25-16)10-22-8-2-3-15(22)17-6-7-18(26-17)20(21)24/h4-7,9,11,15H,2-3,8,10H2,1H3,(H2,21,24)/p+1/t15-/m0/s1