[3-(azocan-1-ylcarbonyl)-1,2-oxazol-5-yl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [3-(azocan-1-ylcarbonyl)-1,2-oxazol-5-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: [3-(azocane-1-carbonyl)isoxazol-5-yl]methyl-benzyl-methyl-ammonium CAS Name: [3-[1-azocanyl(oxo)methyl]-5-isoxazolyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: [3-(azocane-1-carbonyl)-1,2-oxazol-5-yl]methyl-benzyl-methylazanium Traditional Name: [3-(azocane-1-carbonyl)isoxazol-5-yl]methyl-benzyl-methyl-ammonium Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=CC(=NO2)C(=O)N3CCCCCCC3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=CC(=NO2)C(=O)N3CCCCCCC3

InChI

InChI=1S/C20H27N3O2/c1-22(15-17-10-6-5-7-11-17)16-18-14-19(21-25-18)20(24)23-12-8-3-2-4-9-13-23/h5-7,10-11,14H,2-4,8-9,12-13,15-16H2,1H3/p+1