5-butyl-2,4-dimethyl-1-(6-methylheptyl)-4-phenyl-piperidin-1-ium bromide

Systemtic Name: 5-butyl-2,4-dimethyl-1-(6-methylheptyl)-4-phenyl-piperidin-1-ium bromide Openeye Name: 5-butyl-2,4-dimethyl-1-(6-methylheptyl)-4-phenyl-piperidin-1-ium bromide CAS Name: 5-butyl-2,4-dimethyl-1-(6-methylheptyl)-4-phenylpiperidin-1-ium bromide IUPAC Name: 5-butyl-2,4-dimethyl-1-(6-methylheptyl)-4-phenylpiperidin-1-ium bromide Traditional Name: 5-butyl-2,4-dimethyl-1-(6-methylheptyl)-4-phenyl-piperidin-1-ium bromide Formula: C25H44BrN MolecularWeight: 438.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C[NH+](C(CC1(C)C2=CC=CC=C2)C)CCCCCC(C)C.[Br-]

Isomeric SMILES

CCCCC1C[NH+](C(CC1(C)C2=CC=CC=C2)C)CCCCCC(C)C.[Br-]

InChI

InChI=1S/C25H43N.BrH/c1-6-7-15-24-20-26(18-13-9-10-14-21(2)3)22(4)19-25(24,5)23-16-11-8-12-17-23;/h8,11-12,16-17,21-22,24H,6-7,9-10,13-15,18-20H2,1-5H3;1H