furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: 2-furyl-[4-[[5-methyl-2-(4-phenylphenyl)oxazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]methanone CAS Name: 2-furanyl-[4-[[5-methyl-2-(4-phenylphenyl)-4-oxazolyl]methyl]-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: 2-furyl-[4-[[5-methyl-2-(4-phenylphenyl)oxazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]methanone Formula: C27H28N3O3+ MolecularWeight: 442.52952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)C3=CC=CC=C3)C[NH+]4CCCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C3=CC=CC=C3)C[NH+]4CCCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C27H27N3O3/c1-20-24(19-29-14-6-15-30(17-16-29)27(31)25-9-5-18-32-25)28-26(33-20)23-12-10-22(11-13-23)21-7-3-2-4-8-21/h2-5,7-13,18H,6,14-17,19H2,1H3/p+1