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

Systemtic Name: 2-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[4-[(2-methylthiazol-4-yl)methoxy]benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[4-[(2-methyl-4-thiazolyl)methoxy]phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[4-[(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=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

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

InChI

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