1-pyrrolidin-1-yl-2-[4-[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-pyrrolidin-1-yl-2-[4-[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-pyrrolidin-1-yl-2-[4-[3-(thiazol-4-ylmethoxy)benzoyl]piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-[oxo-[3-(4-thiazolylmethoxy)phenyl]methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 1-pyrrolidin-1-yl-2-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-pyrrolidino-2-[4-[3-(thiazol-4-ylmethoxy)benzoyl]piperazin-1-ium-1-yl]ethanone Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)OCC4=CSC=N4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)OCC4=CSC=N4

InChI

InChI=1S/C21H26N4O3S/c26-20(24-6-1-2-7-24)13-23-8-10-25(11-9-23)21(27)17-4-3-5-19(12-17)28-14-18-15-29-16-22-18/h3-5,12,15-16H,1-2,6-11,13-14H2/p+1