1-[(4-butoxy-3-chloranyl-phenyl)methyl]piperidin-1-ium

Systemtic Name: 1-[(4-butoxy-3-chloranyl-phenyl)methyl]piperidin-1-ium Openeye Name: 1-[(4-butoxy-3-chloro-phenyl)methyl]piperidin-1-ium CAS Name: 1-[(4-butoxy-3-chlorophenyl)methyl]piperidin-1-ium IUPAC Name: 1-[(4-butoxy-3-chlorophenyl)methyl]piperidin-1-ium Traditional Name: 1-(4-butoxy-3-chloro-benzyl)piperidin-1-ium Formula: C16H25ClNO+ MolecularWeight: 282.8288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C[NH+]2CCCCC2)Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C[NH+]2CCCCC2)Cl

InChI

InChI=1S/C16H24ClNO/c1-2-3-11-19-16-8-7-14(12-15(16)17)13-18-9-5-4-6-10-18/h7-8,12H,2-6,9-11,13H2,1H3/p+1