2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanone

Systemtic Name: 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzyl-1,4-diazepan-4-ium-1-yl)-2-(5-methyl-2-phenyl-oxazol-4-yl)ethanone CAS Name: 2-(5-methyl-2-phenyl-4-oxazolyl)-1-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanone IUPAC Name: 1-(4-benzyl-1,4-diazepan-4-ium-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone Traditional Name: 1-(4-benzyl-1,4-diazepan-4-ium-1-yl)-2-(5-methyl-2-phenyl-oxazol-4-yl)ethanone Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CC(=O)N3CCC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CC(=O)N3CCC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2/c1-19-22(25-24(29-19)21-11-6-3-7-12-21)17-23(28)27-14-8-13-26(15-16-27)18-20-9-4-2-5-10-20/h2-7,9-12H,8,13-18H2,1H3/p+1