N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]furan-2-carboxamide

Systemtic Name: N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]furan-2-carboxamide Openeye Name: N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]furan-2-carboxamide CAS Name: N-[3-[4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenoxy]propyl]-2-furancarboxamide IUPAC Name: N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]furan-2-carboxamide Traditional Name: N-[3-[4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenoxy]propyl]-2-furamide Formula: C23H28N5O3+ MolecularWeight: 422.50012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)OCCCNC(=O)C3=CC=CO3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)OCCCNC(=O)C3=CC=CO3)C4=NC=CC=N4

InChI

InChI=1S/C23H27N5O3/c29-22(21-4-1-16-31-21)24-11-3-17-30-20-7-5-19(6-8-20)18-27-12-14-28(15-13-27)23-25-9-2-10-26-23/h1-2,4-10,16H,3,11-15,17-18H2,(H,24,29)/p+1