azanium 1-(chloromethyl)-3,4-bis(5-methyl-2-propan-2-yl-cyclohexyl)-2-octadecyl-benzene

Systemtic Name: azanium 1-(chloromethyl)-3,4-bis(5-methyl-2-propan-2-yl-cyclohexyl)-2-octadecyl-benzene Openeye Name: ammonium 1-(chloromethyl)-3,4-bis(2-isopropyl-5-methyl-cyclohexyl)-2-octadecyl-benzene CAS Name: ammonium 1-(chloromethyl)-3,4-bis(5-methyl-2-propan-2-ylcyclohexyl)-2-octadecylbenzene IUPAC Name: azanium 1-(chloromethyl)-3,4-bis(5-methyl-2-propan-2-ylcyclohexyl)-2-octadecylbenzene Traditional Name: ammonium 1-(chloromethyl)-3,4-bis(2-isopropyl-5-methyl-cyclohexyl)-2-stearyl-benzene Formula: C45H83ClN+ MolecularWeight: 673.60022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1C2CC(CCC2C(C)C)C)C3CC(CCC3C(C)C)C)CCl.[NH4+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1C2CC(CCC2C(C)C)C)C3CC(CCC3C(C)C)C)CCl.[NH4+]

InChI

InChI=1S/C45H79Cl.H3N/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-41-38(33-46)27-30-42(43-31-36(6)25-28-39(43)34(2)3)45(41)44-32-37(7)26-29-40(44)35(4)5;/h27,30,34-37,39-40,43-44H,8-26,28-29,31-33H2,1-7H3;1H3/p+1