2-[4-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[1-(m-tolylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[1-(3-methylbenzyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Formula: C19H33N3O+2 MolecularWeight: 319.48482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)CCO

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)CCO

InChI

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