N,N-dimethyl-2-[4-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-dimethyl-2-[4-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N,N-dimethyl-2-[4-(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-dimethyl-2-[4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-dimethyl-2-[4-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CC[NH+](CC4)CC(=O)N(C)C

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CC[NH+](CC4)CC(=O)N(C)C

InChI

InChI=1S/C21H25N5OS/c1-15-22-20(26-11-9-25(10-12-26)13-18(27)24(2)3)19-17(14-28-21(19)23-15)16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3/p+1