(2R,3S,4S,6R)-4-hexyl-3-methyl-2,6-bis(4-methylphenyl)piperidin-1-ium-4-ol

Systemtic Name: (2R,3S,4S,6R)-4-hexyl-3-methyl-2,6-bis(4-methylphenyl)piperidin-1-ium-4-ol Openeye Name: (2R,3S,4S,6R)-4-hexyl-3-methyl-2,6-bis(p-tolyl)piperidin-1-ium-4-ol CAS Name: (2R,3S,4S,6R)-4-hexyl-3-methyl-2,6-bis(4-methylphenyl)-4-piperidin-1-iumol IUPAC Name: (2R,3S,4S,6R)-4-hexyl-3-methyl-2,6-bis(4-methylphenyl)piperidin-1-ium-4-ol Traditional Name: (2R,3S,4S,6R)-4-hexyl-3-methyl-2,6-bis(p-tolyl)piperidin-1-ium-4-ol Formula: C26H38NO+ MolecularWeight: 380.58602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CC([NH2+]C(C1C)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C)O

Isomeric SMILES

CCCCCC[C@@]1(C[C@@H]([NH2+][C@H]([C@@H]1C)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C)O

InChI

InChI=1S/C26H37NO/c1-5-6-7-8-17-26(28)18-24(22-13-9-19(2)10-14-22)27-25(21(26)4)23-15-11-20(3)12-16-23/h9-16,21,24-25,27-28H,5-8,17-18H2,1-4H3/p+1/t21-,24+,25+,26-/m0/s1