1-[(4-propan-2-ylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-propan-2-ylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-isopropylphenyl)methyl]-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-propan-2-ylphenyl)methyl]-N-(2-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-propan-2-ylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-isopropylbenzyl)-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C22H29N3O/c1-17(2)19-8-6-18(7-9-19)16-25-13-10-20(11-14-25)22(26)24-15-21-5-3-4-12-23-21/h3-9,12,17,20H,10-11,13-16H2,1-2H3,(H,24,26)/p+1