3H-1,3-benzoxazol-2-ylidene-[1-cyclohexyl-3-(phenylcarbamoyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-yl]azanium

Systemtic Name: 3H-1,3-benzoxazol-2-ylidene-[1-cyclohexyl-3-(phenylcarbamoyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-yl]azanium Openeye Name: 3H-1,3-benzoxazol-2-ylidene-[1-cyclohexyl-3-(phenylcarbamoyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-yl]ammonium CAS Name: [3-[anilino(oxo)methyl]-1-cyclohexyl-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-yl]-(3H-1,3-benzoxazol-2-ylidene)ammonium IUPAC Name: 3H-1,3-benzoxazol-2-ylidene-[1-cyclohexyl-3-(phenylcarbamoyl)-2,6-dihydro-1H-1,3,5-triazin-1-ium-4-yl]azanium Traditional Name: 3H-1,3-benzoxazol-2-ylidene-[1-cyclohexyl-3-(phenylcarbamoyl)-2,6-dihydro-1H-s-triazin-1-ium-4-yl]ammonium Formula: C23H28N6O2+2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CN=C(N(C2)C(=O)NC3=CC=CC=C3)[NH+]=C4NC5=CC=CC=C5O4

Isomeric SMILES

C1CCC(CC1)[NH+]2CN=C(N(C2)C(=O)NC3=CC=CC=C3)[NH+]=C4NC5=CC=CC=C5O4

InChI

InChI=1S/C23H26N6O2/c30-23(25-17-9-3-1-4-10-17)29-16-28(18-11-5-2-6-12-18)15-24-21(29)27-22-26-19-13-7-8-14-20(19)31-22/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H,25,30)(H,24,26,27)/p+2