[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-[(3,5-dimethylisoxazol-4-yl)methoxy]phenyl]-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: [3-[(3,5-dimethyl-4-isoxazolyl)methoxy]phenyl]-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-[(3,5-dimethylisoxazol-4-yl)methoxy]phenyl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3/c1-19-24(20(2)31-26-19)18-30-23-10-6-9-22(17-23)25(29)28-15-13-27(14-16-28)12-11-21-7-4-3-5-8-21/h3-10,17H,11-16,18H2,1-2H3/p+1