N-butyl-6-methyl-6-azoniabicyclo[3.1.1]hepta-1(7),2,4-trien-6-amine

Systemtic Name: N-butyl-6-methyl-6-azoniabicyclo[3.1.1]hepta-1(7),2,4-trien-6-amine Openeye Name: N-butyl-6-methyl-6-azoniabicyclo[3.1.1]hepta-1(7),2,4-trien-6-amine CAS Name: N-butyl-6-methyl-6-azoniabicyclo[3.1.1]hepta-1(7),2,4-trien-6-amine IUPAC Name: N-butyl-6-methyl-6-azoniabicyclo[3.1.1]hepta-1(7),2,4-trien-6-amine Traditional Name: butyl-(6-methyl-6-azoniabicyclo[3.1.1]hepta-1(7),2,4-trien-6-yl)amine Formula: C11H17N2+ MolecularWeight: 177.26608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN[N+]1(C2=CC1=CC=C2)C

Isomeric SMILES

CCCCN[N+]1(C2=CC1=CC=C2)C

InChI

InChI=1S/C11H17N2/c1-3-4-8-12-13(2)10-6-5-7-11(13)9-10/h5-7,9,12H,3-4,8H2,1-2H3/q+1