2-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(5-methyl-3-phenyl-isoxazole-4-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(5-methyl-3-phenyl-isoxazole-4-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C21H26N4O3/c1-16-19(20(22-28-16)17-7-3-2-4-8-17)21(27)25-13-11-23(12-14-25)15-18(26)24-9-5-6-10-24/h2-4,7-8H,5-6,9-15H2,1H3/p+1