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

Systemtic Name: (2-heptoxy-2-oxidanylidene-ethyl)-dimethyl-[(E)-3-methyl-4-phenyl-but-2-enyl]azanium chloride Openeye Name: (2-heptoxy-2-oxo-ethyl)-dimethyl-[(E)-3-methyl-4-phenyl-but-2-enyl]ammonium chloride CAS Name: (2-heptoxy-2-oxoethyl)-dimethyl-[(E)-3-methyl-4-phenylbut-2-enyl]ammonium chloride IUPAC Name: (2-heptoxy-2-oxoethyl)-dimethyl-[(E)-3-methyl-4-phenylbut-2-enyl]azanium chloride Traditional Name: (2-heptoxy-2-keto-ethyl)-dimethyl-[(E)-3-methyl-4-phenyl-but-2-enyl]ammonium chloride Formula: C22H36ClNO2 MolecularWeight: 381.97974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36NO2.ClH/c1-5-6-7-8-12-17-25-22(24)19-23(3,4)16-15-20(2)18-21-13-10-9-11-14-21;/h9-11,13-15H,5-8,12,16-19H2,1-4H3;1H/q+1;/p-1/b20-15+;