(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: (5-methyl-3-phenyl-isoxazol-4-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: (5-methyl-3-phenyl-4-isoxazolyl)-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: (5-methyl-3-phenyl-isoxazol-4-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2/c1-18-21(22(24-28-18)20-10-6-3-7-11-20)23(27)26-16-14-25(15-17-26)13-12-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3/p+1