(5-methyl-2-propan-2-yl-cyclohexyl) 2-(1-methylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(1-methylpiperazin-1-ium-1-yl)ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(1-methylpiperazin-1-ium-1-yl)acetate CAS Name: 2-(1-methyl-1-piperazin-1-iumyl)acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(1-methylpiperazin-1-ium-1-yl)acetate Traditional Name: 2-(1-methylpiperazin-1-ium-1-yl)acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C17H33N2O2+ MolecularWeight: 297.45612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C[N+]2(CCNCC2)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C[N+]2(CCNCC2)C)C(C)C

InChI

InChI=1S/C17H33N2O2/c1-13(2)15-6-5-14(3)11-16(15)21-17(20)12-19(4)9-7-18-8-10-19/h13-16,18H,5-12H2,1-4H3/q+1