methyl-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]-[(4-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: methyl-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]-[(4-piperidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-[[4-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-[[4-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-[(4-piperidin-1-ylphenyl)methyl]azanium Traditional Name: (2-keto-1,3-benzoxazol-3-yl)methyl-methyl-(4-piperidinobenzyl)ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)N2CCCCC2)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)N2CCCCC2)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H25N3O2/c1-22(16-24-19-7-3-4-8-20(19)26-21(24)25)15-17-9-11-18(12-10-17)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-16H2,1H3/p+1