[2-chloranyl-4-(1-ethoxy-1-oxidanylidene-propan-2-yl)phenyl]-dimethyl-prop-2-ynyl-azanium

Systemtic Name: [2-chloranyl-4-(1-ethoxy-1-oxidanylidene-propan-2-yl)phenyl]-dimethyl-prop-2-ynyl-azanium Openeye Name: [2-chloro-4-(2-ethoxy-1-methyl-2-oxo-ethyl)phenyl]-dimethyl-prop-2-ynyl-ammonium CAS Name: [2-chloro-4-(1-ethoxy-1-oxopropan-2-yl)phenyl]-dimethyl-prop-2-ynylammonium IUPAC Name: [2-chloro-4-(1-ethoxy-1-oxopropan-2-yl)phenyl]-dimethyl-prop-2-ynylazanium Traditional Name: [2-chloro-4-(2-ethoxy-2-keto-1-methyl-ethyl)phenyl]-dimethyl-propargyl-ammonium Formula: C16H21ClNO2+ MolecularWeight: 294.79644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C1=CC(=C(C=C1)[N+](C)(C)CC#C)Cl

Isomeric SMILES

CCOC(=O)C(C)C1=CC(=C(C=C1)[N+](C)(C)CC#C)Cl

InChI

InChI=1S/C16H21ClNO2/c1-6-10-18(4,5)15-9-8-13(11-14(15)17)12(3)16(19)20-7-2/h1,8-9,11-12H,7,10H2,2-5H3/q+1