3-[(1R)-6-methoxy-3,9-bis(oxidanylidene)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(1R)-6-methoxy-3,9-bis(oxidanylidene)-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethyl-azanium Openeye Name: 3-[(1R)-6-methoxy-3,9-dioxo-1-(2-thienyl)-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethyl-ammonium CAS Name: 3-[(1R)-6-methoxy-3,9-dioxo-1-thiophen-2-yl-1H-[1]benzopyrano[2,3-c]pyrrol-2-yl]propyl-dimethylammonium IUPAC Name: 3-[(1R)-6-methoxy-3,9-dioxo-1-thiophen-2-yl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium Traditional Name: 3-[(1R)-3,9-diketo-6-methoxy-1-(2-thienyl)-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethyl-ammonium Formula: C21H23N2O4S+ MolecularWeight: 399.48332

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C2=C(C1=O)OC3=C(C2=O)C=CC(=C3)OC)C4=CC=CS4

Isomeric SMILES

C[NH+](C)CCCN1[C@H](C2=C(C1=O)OC3=C(C2=O)C=CC(=C3)OC)C4=CC=CS4

InChI

InChI=1S/C21H22N2O4S/c1-22(2)9-5-10-23-18(16-6-4-11-28-16)17-19(24)14-8-7-13(26-3)12-15(14)27-20(17)21(23)25/h4,6-8,11-12,18H,5,9-10H2,1-3H3/p+1/t18-/m0/s1