(2-decoxy-2-oxidanylidene-ethyl)-diethyl-[(E)-3-methyl-4-phenyl-but-2-enyl]azanium chloride

Systemtic Name: (2-decoxy-2-oxidanylidene-ethyl)-diethyl-[(E)-3-methyl-4-phenyl-but-2-enyl]azanium chloride Openeye Name: (2-decoxy-2-oxo-ethyl)-diethyl-[(E)-3-methyl-4-phenyl-but-2-enyl]ammonium chloride CAS Name: (2-decoxy-2-oxoethyl)-diethyl-[(E)-3-methyl-4-phenylbut-2-enyl]ammonium chloride IUPAC Name: (2-decoxy-2-oxoethyl)-diethyl-[(E)-3-methyl-4-phenylbut-2-enyl]azanium chloride Traditional Name: (2-decoxy-2-keto-ethyl)-diethyl-[(E)-3-methyl-4-phenyl-but-2-enyl]ammonium chloride Formula: C27H46ClNO2 MolecularWeight: 452.11264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C[N+](CC)(CC)CC=C(C)CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCOC(=O)C[N+](CC)(CC)C/C=C(\C)/CC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C27H46NO2.ClH/c1-5-8-9-10-11-12-13-17-22-30-27(29)24-28(6-2,7-3)21-20-25(4)23-26-18-15-14-16-19-26;/h14-16,18-20H,5-13,17,21-24H2,1-4H3;1H/q+1;/p-1/b25-20+;