1-(2-phenyl-5-oxa-1-azoniabicyclo[2.1.1]hex-1-en-6-yl)azepan-2-amine

Systemtic Name: 1-(2-phenyl-5-oxa-1-azoniabicyclo[2.1.1]hex-1-en-6-yl)azepan-2-amine Openeye Name: 1-(2-phenyl-5-oxa-1-azoniabicyclo[2.1.1]hex-1-en-6-yl)azepan-2-amine CAS Name: 1-(2-phenyl-5-oxa-1-azoniabicyclo[2.1.1]hex-1-en-6-yl)-2-azepanamine IUPAC Name: 1-(2-phenyl-5-oxa-1-azoniabicyclo[2.1.1]hex-1-en-6-yl)azepan-2-amine Traditional Name: [1-(2-phenyl-5-oxa-1-azoniabicyclo[2.1.1]hex-1-en-6-yl)azepan-2-yl]amine Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C2C3CC(=[N+]2O3)C4=CC=CC=C4)N

Isomeric SMILES

C1CCC(N(CC1)C2C3CC(=[N+]2O3)C4=CC=CC=C4)N

InChI

InChI=1S/C16H22N3O/c17-15-9-5-2-6-10-18(15)16-14-11-13(19(16)20-14)12-7-3-1-4-8-12/h1,3-4,7-8,14-16H,2,5-6,9-11,17H2/q+1