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

Systemtic Name: 2-[4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[3-[(2-methylthiazol-4-yl)methoxy]benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[3-[(2-methyl-4-thiazolyl)methoxy]phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[3-[(2-methylthiazol-4-yl)methoxy]benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=NC(=CS1)COC2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C22H28N4O3S/c1-17-23-19(16-30-17)15-29-20-6-4-5-18(13-20)22(28)26-11-9-24(10-12-26)14-21(27)25-7-2-3-8-25/h4-6,13,16H,2-3,7-12,14-15H2,1H3/p+1