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

Systemtic Name: 4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Openeye Name: 4-[[5-methyl-2-(4-phenylphenyl)oxazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde CAS Name: 4-[[5-methyl-2-(4-phenylphenyl)-4-oxazolyl]methyl]-1,4-diazepan-4-ium-1-carboxaldehyde IUPAC Name: 4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Traditional Name: 4-[[5-methyl-2-(4-phenylphenyl)oxazol-4-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Formula: C23H26N3O2+ MolecularWeight: 376.47144

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2/c1-18-22(16-25-12-5-13-26(17-27)15-14-25)24-23(28-18)21-10-8-20(9-11-21)19-6-3-2-4-7-19/h2-4,6-11,17H,5,12-16H2,1H3/p+1