methyl-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-(phenylmethyl)azanium

Systemtic Name: methyl-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[1-(m-tolylmethyl)piperidin-1-ium-4-yl]ammonium CAS Name: methyl-[1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]azanium Traditional Name: benzyl-methyl-[1-(3-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=C1)C[NH+]2CCC(CC2)[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)[NH+](C)CC3=CC=CC=C3

InChI

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