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

Systemtic Name: 5-methyl-N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide Openeye Name: 5-methyl-N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide CAS Name: 5-methyl-N-[3-[4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenoxy]propyl]-2-thiophenecarboxamide IUPAC Name: 5-methyl-N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide Traditional Name: 5-methyl-N-[3-[4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide Formula: C24H30N5O2S+ MolecularWeight: 452.5923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NCCCOC2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(S1)C(=O)NCCCOC2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H29N5O2S/c1-19-4-9-22(32-19)23(30)25-12-3-17-31-21-7-5-20(6-8-21)18-28-13-15-29(16-14-28)24-26-10-2-11-27-24/h2,4-11H,3,12-18H2,1H3,(H,25,30)/p+1