(2S)-1-[(4-acetamidophenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(4-acetamidophenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(4-acetamidophenyl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(4-acetamidophenyl)methyl]-N-(6-phenoxy-3-pyridinyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(4-acetamidophenyl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-(4-acetamidobenzyl)-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide Formula: C26H29N4O3+ MolecularWeight: 445.53346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCCCC2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCCC[C@H]2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3/c1-19(31)28-21-12-10-20(11-13-21)18-30-16-6-5-9-24(30)26(32)29-22-14-15-25(27-17-22)33-23-7-3-2-4-8-23/h2-4,7-8,10-15,17,24H,5-6,9,16,18H2,1H3,(H,28,31)(H,29,32)/p+1/t24-/m0/s1