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

Systemtic Name: 1-[3-[butyl(methyl)carbamoyl]oxyphenyl]propan-2-yl-prop-2-ynyl-azanium chloride Openeye Name: [2-[3-[butyl(methyl)carbamoyl]oxyphenyl]-1-methyl-ethyl]-prop-2-ynyl-ammonium chloride CAS Name: 1-[3-[[butyl(methyl)amino]-oxomethoxy]phenyl]propan-2-yl-prop-2-ynylammonium chloride IUPAC Name: 1-[3-[butyl(methyl)carbamoyl]oxyphenyl]propan-2-yl-prop-2-ynylazanium chloride Traditional Name: [2-[3-[butyl(methyl)carbamoyl]oxyphenyl]-1-methyl-ethyl]-propargyl-ammonium chloride Formula: C18H27ClN2O2 MolecularWeight: 338.87218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)OC1=CC=CC(=C1)CC(C)[NH2+]CC#C.[Cl-]

Isomeric SMILES

CCCCN(C)C(=O)OC1=CC=CC(=C1)CC(C)[NH2+]CC#C.[Cl-]

InChI

InChI=1S/C18H26N2O2.ClH/c1-5-7-12-20(4)18(21)22-17-10-8-9-16(14-17)13-15(3)19-11-6-2;/h2,8-10,14-15,19H,5,7,11-13H2,1,3-4H3;1H