ethyl 1-[[5-bromanyl-3-(3-chlorophenyl)imino-2-oxidanylidene-indol-1-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[5-bromanyl-3-(3-chlorophenyl)imino-2-oxidanylidene-indol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-bromo-3-(3-chlorophenyl)imino-2-oxo-indolin-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-bromo-3-(3-chlorophenyl)imino-2-oxo-1-indolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-bromo-3-(3-chlorophenyl)imino-2-oxoindol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-bromo-3-(3-chlorophenyl)imino-2-keto-indolin-1-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H24BrClN3O3+ MolecularWeight: 505.81196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C3=C(C=C(C=C3)Br)C(=NC4=CC(=CC=C4)Cl)C2=O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C3=C(C=C(C=C3)Br)C(=NC4=CC(=CC=C4)Cl)C2=O

InChI

InChI=1S/C23H23BrClN3O3/c1-2-31-23(30)15-8-10-27(11-9-15)14-28-20-7-6-16(24)12-19(20)21(22(28)29)26-18-5-3-4-17(25)13-18/h3-7,12-13,15H,2,8-11,14H2,1H3/p+1