1-[(2,3,4-trimethoxyphenyl)methyl]azepane hydrochloride

Systemtic Name: 1-[(2,3,4-trimethoxyphenyl)methyl]azepane hydrochloride Openeye Name: 1-[(2,3,4-trimethoxyphenyl)methyl]azepane hydrochloride CAS Name: 1-[(2,3,4-trimethoxyphenyl)methyl]azepane hydrochloride IUPAC Name: 1-[(2,3,4-trimethoxyphenyl)methyl]azepane hydrochloride Traditional Name: 1-(2,3,4-trimethoxybenzyl)azepane hydrochloride Formula: C16H26ClNO3 MolecularWeight: 315.83554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCCCCC2)OC)OC.Cl

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCCCCC2)OC)OC.Cl

InChI

InChI=1S/C16H25NO3.ClH/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;1H