1-[(3-ethanoylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-ethanoylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-acetylphenyl)methyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-acetylphenyl)methyl]-N-[4-(3-pyridinyloxy)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-acetylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-acetylbenzyl)-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide Formula: C26H28N3O3+ MolecularWeight: 430.51882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4

InChI

InChI=1S/C26H27N3O3/c1-19(30)22-5-2-4-20(16-22)18-29-14-11-21(12-15-29)26(31)28-23-7-9-24(10-8-23)32-25-6-3-13-27-17-25/h2-10,13,16-17,21H,11-12,14-15,18H2,1H3,(H,28,31)/p+1