2-(azepan-1-ium-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(3,4,5-trimethoxybenzyl)acetamide Formula: C18H29N2O4+ MolecularWeight: 337.43386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4/c1-22-15-10-14(11-16(23-2)18(15)24-3)12-19-17(21)13-20-8-6-4-5-7-9-20/h10-11H,4-9,12-13H2,1-3H3,(H,19,21)/p+1