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

Systemtic Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[2-(phenoxymethyl)-1,3-oxazol-4-yl]methanone Openeye Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[2-(phenoxymethyl)oxazol-4-yl]methanone CAS Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[2-(phenoxymethyl)-4-oxazolyl]methanone IUPAC Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[2-(phenoxymethyl)-1,3-oxazol-4-yl]methanone Traditional Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[2-(phenoxymethyl)oxazol-4-yl]methanone Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=COC(=N2)COC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=COC(=N2)COC3=CC=CC=C3

InChI

InChI=1S/C17H21N3O3/c1-19-8-5-9-20(11-10-19)17(21)15-12-23-16(18-15)13-22-14-6-3-2-4-7-14/h2-4,6-7,12H,5,8-11,13H2,1H3/p+1