ethyl 2-[2-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]thiazol-4-yl]acetic acid ethyl ester Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

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