4-hexyl-3-methyl-2,6-diphenyl-5-propyl-piperidin-1-ium-4-ol chloride

Systemtic Name: 4-hexyl-3-methyl-2,6-diphenyl-5-propyl-piperidin-1-ium-4-ol chloride Openeye Name: 4-hexyl-3-methyl-2,6-diphenyl-5-propyl-piperidin-1-ium-4-ol chloride CAS Name: 4-hexyl-3-methyl-2,6-diphenyl-5-propyl-4-piperidin-1-iumol chloride IUPAC Name: 4-hexyl-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol chloride Traditional Name: 4-hexyl-3-methyl-2,6-diphenyl-5-propyl-piperidin-1-ium-4-ol chloride Formula: C27H40ClNO MolecularWeight: 430.0656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C(C([NH2+]C(C1CCC)C2=CC=CC=C2)C3=CC=CC=C3)C)O.[Cl-]

Isomeric SMILES

CCCCCCC1(C(C([NH2+]C(C1CCC)C2=CC=CC=C2)C3=CC=CC=C3)C)O.[Cl-]

InChI

InChI=1S/C27H39NO.ClH/c1-4-6-7-14-20-27(29)21(3)25(22-16-10-8-11-17-22)28-26(24(27)15-5-2)23-18-12-9-13-19-23;/h8-13,16-19,21,24-26,28-29H,4-7,14-15,20H2,1-3H3;1H