4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-oxazepan-4-ium

Systemtic Name: 4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-oxazepan-4-ium Openeye Name: 4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-oxazepan-4-ium CAS Name: 4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-oxazepan-4-ium IUPAC Name: 4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-oxazepan-4-ium Traditional Name: 4-(2,3,4-trimethoxybenzyl)-1,4-oxazepan-4-ium Formula: C15H24NO4+ MolecularWeight: 282.35536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCCOCC2)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCCOCC2)OC)OC

InChI

InChI=1S/C15H23NO4/c1-17-13-6-5-12(14(18-2)15(13)19-3)11-16-7-4-9-20-10-8-16/h5-6H,4,7-11H2,1-3H3/p+1