5-(1,4-diazepan-1-yl)-1-oxidanyl-3-propyl-7-oxa-1-azoniabicyclo[4.1.0]hepta-3,5-diene

Systemtic Name: 5-(1,4-diazepan-1-yl)-1-oxidanyl-3-propyl-7-oxa-1-azoniabicyclo[4.1.0]hepta-3,5-diene Openeye Name: 5-(1,4-diazepan-1-yl)-1-hydroxy-3-propyl-7-oxa-1-azoniabicyclo[4.1.0]hepta-3,5-diene CAS Name: 5-(1,4-diazepan-1-yl)-1-hydroxy-3-propyl-7-oxa-1-azoniabicyclo[4.1.0]hepta-3,5-diene IUPAC Name: 5-(1,4-diazepan-1-yl)-1-hydroxy-3-propyl-7-oxa-1-azoniabicyclo[4.1.0]hepta-3,5-diene Traditional Name: 5-(1,4-diazepan-1-yl)-1-hydroxy-3-propyl-7-oxa-1-azoniabicyclo[4.1.0]hepta-3,5-diene Formula: C13H22N3O2+ MolecularWeight: 252.33268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2[N+](C1)(O2)O)N3CCCNCC3

Isomeric SMILES

CCCC1=CC(=C2[N+](C1)(O2)O)N3CCCNCC3

InChI

InChI=1S/C13H22N3O2/c1-2-4-11-9-12(13-16(17,10-11)18-13)15-7-3-5-14-6-8-15/h9,14,17H,2-8,10H2,1H3/q+1