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

Systemtic Name: (3R,5R)-3,5-dimethyl-1-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium Openeye Name: (3R,5R)-3,5-dimethyl-1-[1-(m-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium CAS Name: (3R,5R)-3,5-dimethyl-1-[1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]piperidin-1-ium IUPAC Name: (3R,5R)-3,5-dimethyl-1-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium Traditional Name: (3R,5R)-3,5-dimethyl-1-[1-(3-methylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium Formula: C20H34N2+2 MolecularWeight: 302.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC(=C3)C)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC(=C3)C)C

InChI

InChI=1S/C20H32N2/c1-16-5-4-6-19(12-16)15-21-9-7-20(8-10-21)22-13-17(2)11-18(3)14-22/h4-6,12,17-18,20H,7-11,13-15H2,1-3H3/p+2/t17-,18-/m1/s1