1-[3-[cyclohexyl(methyl)carbamoyl]oxyphenyl]propan-2-yl-prop-2-ynyl-azanium chloride

Systemtic Name: 1-[3-[cyclohexyl(methyl)carbamoyl]oxyphenyl]propan-2-yl-prop-2-ynyl-azanium chloride Openeye Name: [2-[3-[cyclohexyl(methyl)carbamoyl]oxyphenyl]-1-methyl-ethyl]-prop-2-ynyl-ammonium chloride CAS Name: 1-[3-[[cyclohexyl(methyl)amino]-oxomethoxy]phenyl]propan-2-yl-prop-2-ynylammonium chloride IUPAC Name: 1-[3-[cyclohexyl(methyl)carbamoyl]oxyphenyl]propan-2-yl-prop-2-ynylazanium chloride Traditional Name: [2-[3-[cyclohexyl(methyl)carbamoyl]oxyphenyl]-1-methyl-ethyl]-propargyl-ammonium chloride Formula: C20H29ClN2O2 MolecularWeight: 364.90946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC=C1)OC(=O)N(C)C2CCCCC2)[NH2+]CC#C.[Cl-]

Isomeric SMILES

CC(CC1=CC(=CC=C1)OC(=O)N(C)C2CCCCC2)[NH2+]CC#C.[Cl-]

InChI

InChI=1S/C20H28N2O2.ClH/c1-4-13-21-16(2)14-17-9-8-12-19(15-17)24-20(23)22(3)18-10-6-5-7-11-18;/h1,8-9,12,15-16,18,21H,5-7,10-11,13-14H2,2-3H3;1H