methyl-[[3-[(3-methylpyridin-4-yl)methylcarbamoyl]-1,2-oxazol-5-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[[3-[(3-methylpyridin-4-yl)methylcarbamoyl]-1,2-oxazol-5-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[[3-[(3-methyl-4-pyridyl)methylcarbamoyl]isoxazol-5-yl]methyl]ammonium CAS Name: methyl-[[3-[[(3-methyl-4-pyridinyl)methylamino]-oxomethyl]-5-isoxazolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[[3-[(3-methylpyridin-4-yl)methylcarbamoyl]-1,2-oxazol-5-yl]methyl]azanium Traditional Name: benzyl-methyl-[[3-[(3-methyl-4-pyridyl)methylcarbamoyl]isoxazol-5-yl]methyl]ammonium Formula: C20H23N4O2+ MolecularWeight: 351.42222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)CNC(=O)C2=NOC(=C2)C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CN=C1)CNC(=O)C2=NOC(=C2)C[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2/c1-15-11-21-9-8-17(15)12-22-20(25)19-10-18(26-23-19)14-24(2)13-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,22,25)/p+1