methyl-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-(phenylmethyl)azanium

Systemtic Name: methyl-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]ammonium CAS Name: methyl-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]azanium Traditional Name: benzyl-methyl-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]ammonium Formula: C21H30N2+2 MolecularWeight: 310.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2/c1-18-8-6-7-11-20(18)17-23-14-12-21(13-15-23)22(2)16-19-9-4-3-5-10-19/h3-11,21H,12-17H2,1-2H3/p+2