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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2,4,5-trimethoxybenzyl)acetamide Formula: C24H38N3O5+ MolecularWeight: 448.57562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)OC)OC

InChI

InChI=1S/C24H37N3O5/c1-30-20-15-22(32-3)21(31-2)14-19(20)16-25-23(28)17-26-12-8-18(9-13-26)24(29)27-10-6-4-5-7-11-27/h14-15,18H,4-13,16-17H2,1-3H3,(H,25,28)/p+1