N-ethyl-7-methyl-N-(3-methylbutyl)-7-azoniabicyclo[4.1.0]hepta-1,3,5-trien-7-amine

Systemtic Name: N-ethyl-7-methyl-N-(3-methylbutyl)-7-azoniabicyclo[4.1.0]hepta-1,3,5-trien-7-amine Openeye Name: N-ethyl-N-isopentyl-7-methyl-7-azoniabicyclo[4.1.0]hepta-1,3,5-trien-7-amine CAS Name: N-ethyl-7-methyl-N-(3-methylbutyl)-7-azoniabicyclo[4.1.0]hepta-1,3,5-trien-7-amine IUPAC Name: N-ethyl-7-methyl-N-(3-methylbutyl)-7-azoniabicyclo[4.1.0]hepta-1,3,5-trien-7-amine Traditional Name: ethyl-isoamyl-(7-methyl-7-azoniabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)amine Formula: C14H23N2+ MolecularWeight: 219.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(C)C)[N+]1(C2=CC=CC=C21)C

Isomeric SMILES

CCN(CCC(C)C)[N+]1(C2=CC=CC=C21)C

InChI

InChI=1S/C14H23N2/c1-5-15(11-10-12(2)3)16(4)13-8-6-7-9-14(13)16/h6-9,12H,5,10-11H2,1-4H3/q+1