6-methyl-3-oxidanidyl-N-(3-phenylpropyl)-2H-1,3-benzoxazol-3-ium-3-amine

Systemtic Name: 6-methyl-3-oxidanidyl-N-(3-phenylpropyl)-2H-1,3-benzoxazol-3-ium-3-amine Openeye Name: 6-methyl-3-oxido-N-(3-phenylpropyl)-2H-1,3-benzoxazol-3-ium-3-amine CAS Name: 6-methyl-3-oxido-N-(3-phenylpropyl)-2H-1,3-benzoxazol-3-ium-3-amine IUPAC Name: 6-methyl-3-oxido-N-(3-phenylpropyl)-2H-1,3-benzoxazol-3-ium-3-amine Traditional Name: (6-methyl-3-oxido-2H-1,3-benzoxazol-3-ium-3-yl)-(3-phenylpropyl)amine Formula: C17H20N2O2 MolecularWeight: 284.3529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](CO2)(NCCCC3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](CO2)(NCCCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C17H20N2O2/c1-14-9-10-16-17(12-14)21-13-19(16,20)18-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,18H,5,8,11,13H2,1H3