2-phenoxy-N-(phenylmethyl)-N-pyridin-1-ium-2-yl-butanamide

Systemtic Name: 2-phenoxy-N-(phenylmethyl)-N-pyridin-1-ium-2-yl-butanamide Openeye Name: N-benzyl-2-phenoxy-N-pyridin-1-ium-2-yl-butanamide CAS Name: 2-phenoxy-N-(phenylmethyl)-N-(2-pyridin-1-iumyl)butanamide IUPAC Name: N-benzyl-2-phenoxy-N-pyridin-1-ium-2-ylbutanamide Traditional Name: N-benzyl-2-phenoxy-N-pyridin-1-ium-2-yl-butyramide Formula: C22H23N2O2+ MolecularWeight: 347.43022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(CC1=CC=CC=C1)C2=CC=CC=[NH+]2)OC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)N(CC1=CC=CC=C1)C2=CC=CC=[NH+]2)OC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O2/c1-2-20(26-19-13-7-4-8-14-19)22(25)24(21-15-9-10-16-23-21)17-18-11-5-3-6-12-18/h3-16,20H,2,17H2,1H3/p+1