hexadecyl-bis(5-methyl-2-propan-2-yl-cyclohexyl)-(phenylmethyl)azanium

Systemtic Name: hexadecyl-bis(5-methyl-2-propan-2-yl-cyclohexyl)-(phenylmethyl)azanium Openeye Name: benzyl-hexadecyl-bis(2-isopropyl-5-methyl-cyclohexyl)ammonium CAS Name: hexadecyl-bis(5-methyl-2-propan-2-ylcyclohexyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-hexadecyl-bis(5-methyl-2-propan-2-ylcyclohexyl)azanium Traditional Name: benzyl-cetyl-bis(2-isopropyl-5-methyl-cyclohexyl)ammonium Formula: C43H78N+ MolecularWeight: 609.08612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](CC1=CC=CC=C1)(C2CC(CCC2C(C)C)C)C3CC(CCC3C(C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](CC1=CC=CC=C1)(C2CC(CCC2C(C)C)C)C3CC(CCC3C(C)C)C

InChI

InChI=1S/C43H78N/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31-44(34-39-25-22-21-23-26-39,42-32-37(6)27-29-40(42)35(2)3)43-33-38(7)28-30-41(43)36(4)5/h21-23,25-26,35-38,40-43H,8-20,24,27-34H2,1-7H3/q+1