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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN[N+]1(C2=C1C=C(C=C2)CCC(C)C)C

Isomeric SMILES

CCN[N+]1(C2=C1C=C(C=C2)CCC(C)C)C

InChI

InChI=1S/C14H23N2/c1-5-15-16(4)13-9-8-12(10-14(13)16)7-6-11(2)3/h8-11,15H,5-7H2,1-4H3/q+1