ethyl 1-[[3-(5-chloranyl-2,4-dimethoxy-phenyl)imino-2-oxidanylidene-indol-1-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[3-(5-chloranyl-2,4-dimethoxy-phenyl)imino-2-oxidanylidene-indol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(5-chloro-2,4-dimethoxy-phenyl)imino-2-oxo-indolin-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(5-chloro-2,4-dimethoxyphenyl)imino-2-oxo-1-indolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(5-chloro-2,4-dimethoxyphenyl)imino-2-oxoindol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(5-chloro-2,4-dimethoxy-phenyl)imino-2-keto-indolin-1-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H29ClN3O5+ MolecularWeight: 486.96786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=NC4=CC(=C(C=C4OC)OC)Cl)C2=O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=NC4=CC(=C(C=C4OC)OC)Cl)C2=O

InChI

InChI=1S/C25H28ClN3O5/c1-4-34-25(31)16-9-11-28(12-10-16)15-29-20-8-6-5-7-17(20)23(24(29)30)27-19-13-18(26)21(32-2)14-22(19)33-3/h5-8,13-14,16H,4,9-12,15H2,1-3H3/p+1