[3-[bis(2-chloroethyl)carbamoyloxy]-2-methyl-5-propan-2-yl-phenyl]-trimethyl-azanium chloride

Systemtic Name: [3-[bis(2-chloroethyl)carbamoyloxy]-2-methyl-5-propan-2-yl-phenyl]-trimethyl-azanium chloride Openeye Name: [3-[bis(2-chloroethyl)carbamoyloxy]-5-isopropyl-2-methyl-phenyl]-trimethyl-ammonium chloride CAS Name: [3-[bis(2-chloroethyl)amino-oxomethoxy]-2-methyl-5-propan-2-ylphenyl]-trimethylammonium chloride IUPAC Name: [3-[bis(2-chloroethyl)carbamoyloxy]-2-methyl-5-propan-2-ylphenyl]-trimethylazanium chloride Traditional Name: [3-[bis(2-chloroethyl)carbamoyloxy]-5-isopropyl-2-methyl-phenyl]-trimethyl-ammonium chloride Formula: C18H29Cl3N2O2 MolecularWeight: 411.79406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC(=O)N(CCCl)CCCl)C(C)C)[N+](C)(C)C.[Cl-]

Isomeric SMILES

CC1=C(C=C(C=C1OC(=O)N(CCCl)CCCl)C(C)C)[N+](C)(C)C.[Cl-]

InChI

InChI=1S/C18H29Cl2N2O2.ClH/c1-13(2)15-11-16(22(4,5)6)14(3)17(12-15)24-18(23)21(9-7-19)10-8-20;/h11-13H,7-10H2,1-6H3;1H/q+1;/p-1