2-(2-phenyl-5-oxa-1-azoniabicyclo[2.1.1]hex-1-en-6-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: 2-(2-phenyl-5-oxa-1-azoniabicyclo[2.1.1]hex-1-en-6-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: 2-(2-phenyl-5-oxa-1-azoniabicyclo[2.1.1]hex-1-en-6-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: 2-(2-phenyl-5-oxa-1-azoniabicyclo[2.1.1]hex-1-en-6-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: 2-(2-phenyl-5-oxa-1-azoniabicyclo[2.1.1]hex-1-en-6-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: [2-(2-phenyl-5-oxa-1-azoniabicyclo[2.1.1]hex-1-en-6-yl)-3,4,5,6-tetrahydro-2H-azepin-7-yl]amine Formula: C16H20N3O+ MolecularWeight: 270.3495

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)C2C3CC(=[N+]2O3)C4=CC=CC=C4)N

Isomeric SMILES

C1CCC(=NC(C1)C2C3CC(=[N+]2O3)C4=CC=CC=C4)N

InChI

InChI=1S/C16H20N3O/c17-15-9-5-4-8-12(18-15)16-14-10-13(19(16)20-14)11-6-2-1-3-7-11/h1-3,6-7,12,14,16H,4-5,8-10H2,(H2,17,18)/q+1