1-[(3,4,5-trimethoxyphenyl)methyl]azepan-1-ium

Systemtic Name: 1-[(3,4,5-trimethoxyphenyl)methyl]azepan-1-ium Openeye Name: 1-[(3,4,5-trimethoxyphenyl)methyl]azepan-1-ium CAS Name: 1-[(3,4,5-trimethoxyphenyl)methyl]azepan-1-ium IUPAC Name: 1-[(3,4,5-trimethoxyphenyl)methyl]azepan-1-ium Traditional Name: 1-(3,4,5-trimethoxybenzyl)azepan-1-ium Formula: C16H26NO3+ MolecularWeight: 280.38254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCCCCC2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCCCCC2

InChI

InChI=1S/C16H25NO3/c1-18-14-10-13(11-15(19-2)16(14)20-3)12-17-8-6-4-5-7-9-17/h10-11H,4-9,12H2,1-3H3/p+1