N-(4-phenylmethoxyphenyl)-4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-phenylmethoxyphenyl)-4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(4-benzyloxyphenyl)-4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-(4-phenylmethoxyphenyl)-4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-phenylmethoxyphenyl)-4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(4-benzoxyphenyl)-4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carboxamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2/c30-25(29-18-16-28(17-19-29)15-12-21-10-13-26-14-11-21)27-23-6-8-24(9-7-23)31-20-22-4-2-1-3-5-22/h1-11,13-14H,12,15-20H2,(H,27,30)/p+1