nonyl 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride

Systemtic Name: nonyl 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride Openeye Name: nonyl 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetate chloride CAS Name: 2-[1-[(Z)-3-methyl-4-phenylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid nonyl ester chloride IUPAC Name: nonyl 2-[1-[(Z)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride Traditional Name: 2-[1-[(Z)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetic acid nonyl ester chloride Formula: C27H44ClNO2 MolecularWeight: 450.09676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C[N+]1(CCCCC1)CC=C(C)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(/C)\CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C27H44NO2.ClH/c1-3-4-5-6-7-8-15-22-30-27(29)24-28(19-13-10-14-20-28)21-18-25(2)23-26-16-11-9-12-17-26;/h9,11-12,16-18H,3-8,10,13-15,19-24H2,1-2H3;1H/q+1;/p-1/b25-18-;