[3-[(4-bromophenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-pyrano[2,3-c]pyridin-2-ylidene]-(2-methoxyphenyl)azanium

Systemtic Name: [3-[(4-bromophenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-pyrano[2,3-c]pyridin-2-ylidene]-(2-methoxyphenyl)azanium Openeye Name: [3-[(4-bromophenyl)carbamoyl]-5-(hydroxymethyl)-8-methyl-pyrano[2,3-c]pyridin-2-ylidene]-(2-methoxyphenyl)ammonium CAS Name: [3-[(4-bromoanilino)-oxomethyl]-5-(hydroxymethyl)-8-methyl-2-pyrano[2,3-c]pyridinylidene]-(2-methoxyphenyl)ammonium IUPAC Name: [3-[(4-bromophenyl)carbamoyl]-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridin-2-ylidene]-(2-methoxyphenyl)azanium Traditional Name: [3-[(4-bromophenyl)carbamoyl]-8-methyl-5-methylol-pyrano[2,3-c]pyridin-2-ylidene]-(2-methoxyphenyl)ammonium Formula: C24H21BrN3O4+ MolecularWeight: 495.34524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C2=C1OC(=[NH+]C3=CC=CC=C3OC)C(=C2)C(=O)NC4=CC=C(C=C4)Br)CO

Isomeric SMILES

CC1=NC=C(C2=C1OC(=[NH+]C3=CC=CC=C3OC)C(=C2)C(=O)NC4=CC=C(C=C4)Br)CO

InChI

InChI=1S/C24H20BrN3O4/c1-14-22-18(15(13-29)12-26-14)11-19(23(30)27-17-9-7-16(25)8-10-17)24(32-22)28-20-5-3-4-6-21(20)31-2/h3-12,29H,13H2,1-2H3,(H,27,30)/p+1