ethyl 4-[2-oxidanylidene-2-[[5-(phenylmethyl)-1,3-thiazol-2-yl]amino]ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[[5-(phenylmethyl)-1,3-thiazol-2-yl]amino]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(5-benzylthiazol-2-yl)amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-[[5-(phenylmethyl)-2-thiazolyl]amino]ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5-benzyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[(5-benzylthiazol-2-yl)amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=NC=C(S2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=NC=C(S2)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3S/c1-2-26-19(25)23-10-8-22(9-11-23)14-17(24)21-18-20-13-16(27-18)12-15-6-4-3-5-7-15/h3-7,13H,2,8-12,14H2,1H3,(H,20,21,24)/p+1