2-[(1S)-6-methoxy-3,9-bis(oxidanylidene)-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(1S)-6-methoxy-3,9-bis(oxidanylidene)-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(1S)-6-methoxy-3,9-dioxo-1-(3-pyridyl)-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(1S)-6-methoxy-3,9-dioxo-1-(3-pyridinyl)-1H-[1]benzopyrano[2,3-c]pyrrol-2-yl]ethyl-dimethylammonium IUPAC Name: 2-[(1S)-6-methoxy-3,9-dioxo-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium Traditional Name: 2-[(1S)-3,9-diketo-6-methoxy-1-(3-pyridyl)-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethyl-ammonium Formula: C21H22N3O4+ MolecularWeight: 380.41708

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(C2=C(C1=O)OC3=C(C2=O)C=CC(=C3)OC)C4=CN=CC=C4

Isomeric SMILES

C[NH+](C)CCN1[C@H](C2=C(C1=O)OC3=C(C2=O)C=CC(=C3)OC)C4=CN=CC=C4

InChI

InChI=1S/C21H21N3O4/c1-23(2)9-10-24-18(13-5-4-8-22-12-13)17-19(25)15-7-6-14(27-3)11-16(15)28-20(17)21(24)26/h4-8,11-12,18H,9-10H2,1-3H3/p+1/t18-/m0/s1