2-[4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C22H28N4O3S/c1-17-4-6-18(7-5-17)29-15-20-23-19(16-30-20)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