3-[(1S)-7-chloranyl-3,9-bis(oxidanylidene)-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(1S)-7-chloranyl-3,9-bis(oxidanylidene)-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethyl-azanium Openeye Name: 3-[(1S)-7-chloro-3,9-dioxo-1-(3-pyridyl)-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethyl-ammonium CAS Name: 3-[(1S)-7-chloro-3,9-dioxo-1-(3-pyridinyl)-1H-[1]benzopyrano[2,3-c]pyrrol-2-yl]propyl-dimethylammonium IUPAC Name: 3-[(1S)-7-chloro-3,9-dioxo-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium Traditional Name: 3-[(1S)-7-chloro-3,9-diketo-1-(3-pyridyl)-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethyl-ammonium Formula: C21H21ClN3O3+ MolecularWeight: 398.86274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O3/c1-24(2)9-4-10-25-18(13-5-3-8-23-12-13)17-19(26)15-11-14(22)6-7-16(15)28-20(17)21(25)27/h3,5-8,11-12,18H,4,9-10H2,1-2H3/p+1/t18-/m0/s1