ethyl 1-[2-[[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[2-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H26N5O3S+ MolecularWeight: 428.52784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=NN2C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=NN2C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H25N5O3S/c1-3-29-20(28)15-8-10-25(11-9-15)13-19(27)23-18-12-14(2)24-26(18)21-22-16-6-4-5-7-17(16)30-21/h4-7,12,15H,3,8-11,13H2,1-2H3,(H,23,27)/p+1