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

Systemtic Name: pentyl 2-[1-[(E)-4-(2-chlorophenyl)-3-methyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: pentyl 2-[1-[(E)-4-(2-chlorophenyl)-3-methyl-but-2-enyl]piperidin-1-ium-1-yl]acetate CAS Name: 2-[1-[(E)-4-(2-chlorophenyl)-3-methylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-[(E)-4-(2-chlorophenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[1-[(E)-4-(2-chlorophenyl)-3-methyl-but-2-enyl]piperidin-1-ium-1-yl]acetic acid amyl ester Formula: C23H35ClNO2+ MolecularWeight: 392.9825

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C[N+]1(CCCCC1)CC=C(C)CC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(\C)/CC2=CC=CC=C2Cl

InChI

InChI=1S/C23H35ClNO2/c1-3-4-10-17-27-23(26)19-25(14-8-5-9-15-25)16-13-20(2)18-21-11-6-7-12-22(21)24/h6-7,11-13H,3-5,8-10,14-19H2,1-2H3/q+1/b20-13+