2-(4-methoxy-2,5-dimethyl-phenyl)-5-methyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole

Systemtic Name: 2-(4-methoxy-2,5-dimethyl-phenyl)-5-methyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 2-(4-methoxy-2,5-dimethyl-phenyl)-5-methyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]oxazole CAS Name: 2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]oxazole IUPAC Name: 2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 2-(4-methoxy-2,5-dimethyl-phenyl)-5-methyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]oxazole Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NC(=C(O2)C)C[NH+]3CCCN(CC3)C4=CC=CC=C4)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C2=NC(=C(O2)C)C[NH+]3CCCN(CC3)C4=CC=CC=C4)C)OC

InChI

InChI=1S/C25H31N3O2/c1-18-16-24(29-4)19(2)15-22(18)25-26-23(20(3)30-25)17-27-11-8-12-28(14-13-27)21-9-6-5-7-10-21/h5-7,9-10,15-16H,8,11-14,17H2,1-4H3/p+1