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

Systemtic Name: 6-chloranyl-7-methyl-4-oxidanylidene-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]chromene-2-carboxamide Openeye Name: 6-chloro-7-methyl-4-oxo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]chromene-2-carboxamide CAS Name: 6-chloro-7-methyl-4-oxo-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-1-benzopyran-2-carboxamide IUPAC Name: 6-chloro-7-methyl-4-oxo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide Traditional Name: 6-chloro-4-keto-7-methyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]chromene-2-carboxamide Formula: C21H22ClN2O3S+ MolecularWeight: 417.92898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=CC2=O)C(=O)NCC(C3=CC=CS3)[NH+]4CCCC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=CC2=O)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCC4)Cl

InChI

InChI=1S/C21H21ClN2O3S/c1-13-9-18-14(10-15(13)22)17(25)11-19(27-18)21(26)23-12-16(20-5-4-8-28-20)24-6-2-3-7-24/h4-5,8-11,16H,2-3,6-7,12H2,1H3,(H,23,26)/p+1/t16-/m0/s1