(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[5-(phenoxymethyl)-1,2-oxazol-3-yl]methanone

Systemtic Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[5-(phenoxymethyl)-1,2-oxazol-3-yl]methanone Openeye Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[5-(phenoxymethyl)isoxazol-3-yl]methanone CAS Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[5-(phenoxymethyl)-3-isoxazolyl]methanone IUPAC Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[5-(phenoxymethyl)-1,2-oxazol-3-yl]methanone Traditional Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[5-(phenoxymethyl)isoxazol-3-yl]methanone Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCN(CC2)C(=O)C3=NOC(=C3)COC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCCN(CC2)C(=O)C3=NOC(=C3)COC4=CC=CC=C4

InChI

InChI=1S/C22H29N3O3/c26-22(21-16-20(28-23-21)17-27-19-10-5-2-6-11-19)25-13-7-12-24(14-15-25)18-8-3-1-4-9-18/h2,5-6,10-11,16,18H,1,3-4,7-9,12-15,17H2/p+1