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

Systemtic Name: 4,5-dimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]thiophene-2-carboxamide Openeye Name: 4,5-dimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]thiophene-2-carboxamide CAS Name: 4,5-dimethyl-N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]-2-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]thiophene-2-carboxamide Traditional Name: 4,5-dimethyl-N-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]thiophene-2-carboxamide Formula: C18H26N5OS+ MolecularWeight: 360.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)NCCC[NH+]2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CC1=C(SC(=C1)C(=O)NCCC[NH+]2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C18H25N5OS/c1-14-13-16(25-15(14)2)17(24)19-7-4-8-22-9-11-23(12-10-22)18-20-5-3-6-21-18/h3,5-6,13H,4,7-12H2,1-2H3,(H,19,24)/p+1