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

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

Systemtic Name:1-[(2,3,4-trimethoxyphenyl)methyl]azepan-1-ium
Openeye Name:1-[(2,3,4-trimethoxyphenyl)methyl]azepan-1-ium
CAS Name:1-[(2,3,4-trimethoxyphenyl)methyl]azepan-1-ium
IUPAC Name:1-[(2,3,4-trimethoxyphenyl)methyl]azepan-1-ium
Traditional Name:1-(2,3,4-trimethoxybenzyl)azepan-1-ium
Formula: C16H26NO3+
MolecularWeight: 280.38254
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H25NO3/c1-18-14-9-8-13(15(19-2)16(14)20-3)12-17-10-6-4-5-7-11-17/h8-9H,4-7,10-12H2,1-3H3/p+1


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