(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone

Systemtic Name: (4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone Openeye Name: (4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-[5-[(3-methoxyphenoxy)methyl]isoxazol-3-yl]methanone CAS Name: (4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-[5-[(3-methoxyphenoxy)methyl]-3-isoxazolyl]methanone IUPAC Name: (4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone Traditional Name: (4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-[5-[(3-methoxyphenoxy)methyl]isoxazol-3-yl]methanone Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=CC(=NO2)C(=O)N3CCC[NH+](CC3)C4CCCC4

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=CC(=NO2)C(=O)N3CCC[NH+](CC3)C4CCCC4

InChI

InChI=1S/C22H29N3O4/c1-27-18-8-4-9-19(14-18)28-16-20-15-21(23-29-20)22(26)25-11-5-10-24(12-13-25)17-6-2-3-7-17/h4,8-9,14-15,17H,2-3,5-7,10-13,16H2,1H3/p+1