ethyl 1-[[(3E)-3-(azepan-1-ylcarbothioylhydrazinylidene)-2-oxidanylidene-indol-1-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[(3E)-3-(azepan-1-ylcarbothioylhydrazinylidene)-2-oxidanylidene-indol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[(3E)-3-(azepane-1-carbothioylhydrazono)-2-oxo-indolin-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[(3E)-3-[[1-azepanyl(sulfanylidene)methyl]hydrazinylidene]-2-oxo-1-indolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(3E)-3-(azepane-1-carbothioylhydrazinylidene)-2-oxoindol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[(3E)-3-(azepane-1-carbothioylhydrazono)-2-keto-indolin-1-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H34N5O3S+ MolecularWeight: 472.62346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=NNC(=S)N4CCCCCC4)C2=O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C3=CC=CC=C3/C(=N\NC(=S)N4CCCCCC4)/C2=O

InChI

InChI=1S/C24H33N5O3S/c1-2-32-23(31)18-11-15-27(16-12-18)17-29-20-10-6-5-9-19(20)21(22(29)30)25-26-24(33)28-13-7-3-4-8-14-28/h5-6,9-10,18H,2-4,7-8,11-17H2,1H3,(H,26,33)/p+1/b25-21+