(1S,5R)-5-(4-methylphenyl)-3-azoniabicyclo[3.1.0]hexane

Systemtic Name: (1S,5R)-5-(4-methylphenyl)-3-azoniabicyclo[3.1.0]hexane Openeye Name: (1S,5R)-5-(p-tolyl)-3-azoniabicyclo[3.1.0]hexane CAS Name: (1S,5R)-5-(4-methylphenyl)-3-azoniabicyclo[3.1.0]hexane IUPAC Name: (1S,5R)-5-(4-methylphenyl)-3-azoniabicyclo[3.1.0]hexane Traditional Name: (1S,5R)-5-(p-tolyl)-3-azoniabicyclo[3.1.0]hexane Formula: C12H16N+ MolecularWeight: 174.26214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC2C[NH2+]C3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@]23C[C@@H]2C[NH2+]C3

InChI

InChI=1S/C12H15N/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12/h2-5,11,13H,6-8H2,1H3/p+1/t11-,12+/m1/s1