2-[(1S)-3,9-bis(oxidanylidene)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[(1S)-3,9-bis(oxidanylidene)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethyl-azanium Openeye Name: 2-[(1S)-3,9-dioxo-1-(2-thienyl)-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethyl-ammonium CAS Name: 2-[(1S)-3,9-dioxo-1-thiophen-2-yl-1H-[1]benzopyrano[2,3-c]pyrrol-2-yl]ethyl-diethylammonium IUPAC Name: 2-[(1S)-3,9-dioxo-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethylazanium Traditional Name: 2-[(1S)-3,9-diketo-1-(2-thienyl)-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-diethyl-ammonium Formula: C21H23N2O3S+ MolecularWeight: 383.48392

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C2=C(C1=O)OC3=CC=CC=C3C2=O)C4=CC=CS4

Isomeric SMILES

CC[NH+](CC)CCN1[C@@H](C2=C(C1=O)OC3=CC=CC=C3C2=O)C4=CC=CS4

InChI

InChI=1S/C21H22N2O3S/c1-3-22(4-2)11-12-23-18(16-10-7-13-27-16)17-19(24)14-8-5-6-9-15(14)26-20(17)21(23)25/h5-10,13,18H,3-4,11-12H2,1-2H3/p+1/t18-/m1/s1