2-[4-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Formula: C19H33N3O+2 MolecularWeight: 319.48482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCN(CC3)CCO

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCN(CC3)CCO

InChI

InChI=1S/C19H31N3O/c1-17-4-2-3-5-18(17)16-21-8-6-19(7-9-21)22-12-10-20(11-13-22)14-15-23/h2-5,19,23H,6-16H2,1H3/p+2