(3R,5S)-3,5-dimethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidin-1-ium

Systemtic Name: (3R,5S)-3,5-dimethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidin-1-ium Openeye Name: (3R,5S)-3,5-dimethyl-1-[1-(o-tolylmethyl)-4-piperidyl]piperidin-1-ium CAS Name: (3R,5S)-3,5-dimethyl-1-[1-[(2-methylphenyl)methyl]-4-piperidinyl]piperidin-1-ium IUPAC Name: (3R,5S)-3,5-dimethyl-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidin-1-ium Traditional Name: (3R,5S)-3,5-dimethyl-1-[1-(2-methylbenzyl)-4-piperidyl]piperidin-1-ium Formula: C20H33N2+ MolecularWeight: 301.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C2CCN(CC2)CC3=CC=CC=C3C)C

Isomeric SMILES

C[C@@H]1C[C@@H](C[NH+](C1)C2CCN(CC2)CC3=CC=CC=C3C)C

InChI

InChI=1S/C20H32N2/c1-16-12-17(2)14-22(13-16)20-8-10-21(11-9-20)15-19-7-5-4-6-18(19)3/h4-7,16-17,20H,8-15H2,1-3H3/p+1/t16-,17+