5-chloranyl-2-ethyl-7-methyl-N-(3-methylbutyl)-7-azoniabicyclo[4.1.0]hepta-1,3,5-trien-7-amine

Systemtic Name: 5-chloranyl-2-ethyl-7-methyl-N-(3-methylbutyl)-7-azoniabicyclo[4.1.0]hepta-1,3,5-trien-7-amine Openeye Name: 5-chloro-2-ethyl-N-isopentyl-7-methyl-7-azoniabicyclo[4.1.0]hepta-1,3,5-trien-7-amine CAS Name: 5-chloro-2-ethyl-7-methyl-N-(3-methylbutyl)-7-azoniabicyclo[4.1.0]hepta-1,3,5-trien-7-amine IUPAC Name: 5-chloro-2-ethyl-7-methyl-N-(3-methylbutyl)-7-azoniabicyclo[4.1.0]hepta-1,3,5-trien-7-amine Traditional Name: (5-chloro-2-ethyl-7-methyl-7-azoniabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)-isoamyl-amine Formula: C14H22ClN2+ MolecularWeight: 253.79088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=C(C=C1)Cl)[N+]2(C)NCCC(C)C

Isomeric SMILES

CCC1=C2C(=C(C=C1)Cl)[N+]2(C)NCCC(C)C

InChI

InChI=1S/C14H22ClN2/c1-5-11-6-7-12(15)14-13(11)17(14,4)16-9-8-10(2)3/h6-7,10,16H,5,8-9H2,1-4H3/q+1