1-[(4-propan-2-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-propan-2-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-isopropylphenyl)methyl]-N-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-propan-2-ylphenyl)methyl]-N-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-propan-2-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-isopropylbenzyl)-N-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C22H30N3O+ MolecularWeight: 352.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CN=CC=C3

InChI

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