3H-1,3-benzoxazol-2-ylidene-[3-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]azanium

Systemtic Name: 3H-1,3-benzoxazol-2-ylidene-[3-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]azanium Openeye Name: 3H-1,3-benzoxazol-2-ylidene-[3-(p-tolylmethyl)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]ammonium CAS Name: 3H-1,3-benzoxazol-2-ylidene-[3-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]ammonium IUPAC Name: 3H-1,3-benzoxazol-2-ylidene-[3-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl]azanium Traditional Name: 3H-1,3-benzoxazol-2-ylidene-[3-(4-methylbenzyl)-1,2,3,4-tetrahydro-s-triazin-3-ium-6-yl]ammonium Formula: C18H21N5O+2 MolecularWeight: 323.39224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CNC(=NC2)[NH+]=C3NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CNC(=NC2)[NH+]=C3NC4=CC=CC=C4O3

InChI

InChI=1S/C18H19N5O/c1-13-6-8-14(9-7-13)10-23-11-19-17(20-12-23)22-18-21-15-4-2-3-5-16(15)24-18/h2-9H,10-12H2,1H3,(H2,19,20,21,22)/p+2