ethyl 1-[3-oxidanylidene-3-(1,3-thiazol-2-ylamino)propyl]-4-phenyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[3-oxidanylidene-3-(1,3-thiazol-2-ylamino)propyl]-4-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-oxo-3-(thiazol-2-ylamino)propyl]-4-phenyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[3-oxo-3-(2-thiazolylamino)propyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-4-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[3-keto-3-(thiazol-2-ylamino)propyl]-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCC(=O)NC2=NC=CS2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCC(=O)NC2=NC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-2-26-18(25)20(16-6-4-3-5-7-16)9-13-23(14-10-20)12-8-17(24)22-19-21-11-15-27-19/h3-7,11,15H,2,8-10,12-14H2,1H3,(H,21,22,24)/p+1