1-[(2-methylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-methylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-(o-tolylmethyl)-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-methylphenyl)methyl]-N-[4-(3-pyridinyloxy)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-methylphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-methylbenzyl)-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4

InChI

InChI=1S/C25H27N3O2/c1-19-5-2-3-6-21(19)18-28-15-12-20(13-16-28)25(29)27-22-8-10-23(11-9-22)30-24-7-4-14-26-17-24/h2-11,14,17,20H,12-13,15-16,18H2,1H3,(H,27,29)/p+1