N-(2-phenoxyphenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]propanamide

Systemtic Name: N-(2-phenoxyphenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]propanamide Openeye Name: N-(2-phenoxyphenyl)-3-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]propanamide CAS Name: N-(2-phenoxyphenyl)-3-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]propanamide IUPAC Name: N-(2-phenoxyphenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]propanamide Traditional Name: N-(2-phenoxyphenyl)-3-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]propionamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)CCC(=O)NC3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)CCC(=O)NC3=CC=CC=C3OC4=CC=CC=C4

InChI

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