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

Systemtic Name: pentyl 2-[1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride Openeye Name: pentyl 2-[1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetate chloride CAS Name: 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid pentyl ester chloride IUPAC Name: pentyl 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride Traditional Name: 2-[1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetic acid amyl ester chloride Formula: C23H36ClNO2 MolecularWeight: 393.99044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36NO2.ClH/c1-3-4-11-18-26-23(25)20-24(15-9-6-10-16-24)17-14-21(2)19-22-12-7-5-8-13-22;/h5,7-8,12-14H,3-4,6,9-11,15-20H2,1-2H3;1H/q+1;/p-1/b21-14+;