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

Systemtic Name: 2-(2-chlorophenyl)-5-methyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 2-(2-chlorophenyl)-5-methyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]oxazole CAS Name: 2-(2-chlorophenyl)-5-methyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]oxazole IUPAC Name: 2-(2-chlorophenyl)-5-methyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 2-(2-chlorophenyl)-5-methyl-4-[(4-phenyl-1,4-diazepan-1-ium-1-yl)methyl]oxazole Formula: C22H25ClN3O+ MolecularWeight: 382.9064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2Cl)C[NH+]3CCCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2Cl)C[NH+]3CCCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H24ClN3O/c1-17-21(24-22(27-17)19-10-5-6-11-20(19)23)16-25-12-7-13-26(15-14-25)18-8-3-2-4-9-18/h2-6,8-11H,7,12-16H2,1H3/p+1