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

Systemtic Name: 3-[(1S)-3,9-bis(oxidanylidene)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethyl-azanium Openeye Name: 3-[(1S)-3,9-dioxo-1-(2-thienyl)-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethyl-ammonium CAS Name: 3-[(1S)-3,9-dioxo-1-thiophen-2-yl-1H-[1]benzopyrano[2,3-c]pyrrol-2-yl]propyl-dimethylammonium IUPAC Name: 3-[(1S)-3,9-dioxo-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium Traditional Name: 3-[(1S)-3,9-diketo-1-(2-thienyl)-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethyl-ammonium Formula: C20H21N2O3S+ MolecularWeight: 369.45734

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C2=C(C1=O)OC3=CC=CC=C3C2=O)C4=CC=CS4

Isomeric SMILES

C[NH+](C)CCCN1[C@@H](C2=C(C1=O)OC3=CC=CC=C3C2=O)C4=CC=CS4

InChI

InChI=1S/C20H20N2O3S/c1-21(2)10-6-11-22-17(15-9-5-12-26-15)16-18(23)13-7-3-4-8-14(13)25-19(16)20(22)24/h3-5,7-9,12,17H,6,10-11H2,1-2H3/p+1/t17-/m1/s1