4-ethyl-7-methyl-N-(3-methylbutyl)-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-amine

Systemtic Name: 4-ethyl-7-methyl-N-(3-methylbutyl)-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-amine Openeye Name: 4-ethyl-N-isopentyl-7-methyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-amine CAS Name: 4-ethyl-7-methyl-N-(3-methylbutyl)-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-amine IUPAC Name: 4-ethyl-7-methyl-N-(3-methylbutyl)-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-amine Traditional Name: (4-ethyl-7-methyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-yl)-isoamyl-amine Formula: C14H23N2+ MolecularWeight: 219.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C([N+]2(C)NCCC(C)C)C=C1

Isomeric SMILES

CCC1=CC2=C([N+]2(C)NCCC(C)C)C=C1

InChI

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