N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-2-phenyl-N-(3-pyridylmethyl)acetamide CAS Name: N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-2-phenyl-N-(3-pyridinylmethyl)acetamide IUPAC Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide Traditional Name: N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-2-phenyl-N-(3-pyridylmethyl)acetamide Formula: C28H34N3O+ MolecularWeight: 428.58906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O/c1-23-8-5-6-12-27(23)22-30-16-13-25(14-17-30)20-31(21-26-11-7-15-29-19-26)28(32)18-24-9-3-2-4-10-24/h2-12,15,19,25H,13-14,16-18,20-22H2,1H3/p+1