2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[2-(2-ethoxyphenyl)thiazol-4-yl]-1-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-[2-(2-ethoxyphenyl)-4-thiazolyl]-1-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]-2-(2-o-phenetylthiazol-4-yl)ethanone Formula: C24H33N4O3S+ MolecularWeight: 457.60882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=CS2)CC(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=CS2)CC(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C24H32N4O3S/c1-2-31-21-9-5-4-8-20(21)24-25-19(18-32-24)16-22(29)28-14-12-26(13-15-28)17-23(30)27-10-6-3-7-11-27/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3/p+1