[1-[4-(3-methylphenyl)phenyl]piperidin-4-yl]-(1,2-oxazol-5-ylmethyl)azanium

Systemtic Name: [1-[4-(3-methylphenyl)phenyl]piperidin-4-yl]-(1,2-oxazol-5-ylmethyl)azanium Openeye Name: isoxazol-5-ylmethyl-[1-[4-(m-tolyl)phenyl]-4-piperidyl]ammonium CAS Name: 5-isoxazolylmethyl-[1-[4-(3-methylphenyl)phenyl]-4-piperidinyl]ammonium IUPAC Name: [1-[4-(3-methylphenyl)phenyl]piperidin-4-yl]-(1,2-oxazol-5-ylmethyl)azanium Traditional Name: isoxazol-5-ylmethyl-[1-[4-(m-tolyl)phenyl]-4-piperidyl]ammonium Formula: C22H26N3O+ MolecularWeight: 348.46134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4=CC=NO4

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4=CC=NO4

InChI

InChI=1S/C22H25N3O/c1-17-3-2-4-19(15-17)18-5-7-21(8-6-18)25-13-10-20(11-14-25)23-16-22-9-12-24-26-22/h2-9,12,15,20,23H,10-11,13-14,16H2,1H3/p+1