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

Systemtic Name: N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide Openeye Name: N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide CAS Name: N-[3-[4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenoxy]propyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide Traditional Name: N-[3-[4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide Formula: C23H28N5O2S+ MolecularWeight: 438.56572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)OCCCNC(=O)C3=CC=CS3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)OCCCNC(=O)C3=CC=CS3)C4=NC=CC=N4

InChI

InChI=1S/C23H27N5O2S/c29-22(21-4-1-17-31-21)24-11-3-16-30-20-7-5-19(6-8-20)18-27-12-14-28(15-13-27)23-25-9-2-10-26-23/h1-2,4-10,17H,3,11-16,18H2,(H,24,29)/p+1