1-(3-methylbutyl)-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(3-methylbutyl)-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-isopentyl-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(3-methylbutyl)-N-[4-(3-pyridinyloxy)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(3-methylbutyl)-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-isoamyl-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCC(CC1)C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3

Isomeric SMILES

CC(C)CC[NH+]1CCC(CC1)C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3

InChI

InChI=1S/C22H29N3O2/c1-17(2)9-13-25-14-10-18(11-15-25)22(26)24-19-5-7-20(8-6-19)27-21-4-3-12-23-16-21/h3-8,12,16-18H,9-11,13-15H2,1-2H3,(H,24,26)/p+1