4-methyl-1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-methyl-1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-methyl-1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-methyl-1-[2-(2,6,6-trimethyl-1-cyclohexenyl)ethyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-methyl-1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-methyl-1-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,4-diazepan-1-ium-5-one Formula: C17H31N2O+ MolecularWeight: 279.44084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)CC[NH+]2CCC(=O)N(CC2)C

Isomeric SMILES

CC1=C(C(CCC1)(C)C)CC[NH+]2CCC(=O)N(CC2)C

InChI

InChI=1S/C17H30N2O/c1-14-6-5-9-17(2,3)15(14)7-10-19-11-8-16(20)18(4)12-13-19/h5-13H2,1-4H3/p+1