ethyl 2-[2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbonylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbonylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[(1-benzylpiperidin-1-ium-4-carbonyl)amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[oxo-[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(1-benzylpiperidin-1-ium-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(1-benzylpiperidin-1-ium-4-carbonyl)amino]thiazol-4-yl]acetic acid ethyl ester Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

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