1-[[4-(2-methylpropoxy)phenyl]methyl]azepan-1-ium

Systemtic Name: 1-[[4-(2-methylpropoxy)phenyl]methyl]azepan-1-ium Openeye Name: 1-[(4-isobutoxyphenyl)methyl]azepan-1-ium CAS Name: 1-[[4-(2-methylpropoxy)phenyl]methyl]azepan-1-ium IUPAC Name: 1-[[4-(2-methylpropoxy)phenyl]methyl]azepan-1-ium Traditional Name: 1-(4-isobutoxybenzyl)azepan-1-ium Formula: C17H28NO+ MolecularWeight: 262.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C[NH+]2CCCCCC2

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C[NH+]2CCCCCC2

InChI

InChI=1S/C17H27NO/c1-15(2)14-19-17-9-7-16(8-10-17)13-18-11-5-3-4-6-12-18/h7-10,15H,3-6,11-14H2,1-2H3/p+1