7-methyl-3-[[(3R)-1-phenethylpiperidin-1-ium-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 7-methyl-3-[[(3R)-1-phenethylpiperidin-1-ium-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 7-methyl-3-[[(3R)-1-phenethylpiperidin-1-ium-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 7-methyl-3-[[(3R)-1-phenethyl-3-piperidin-1-iumyl]methyl]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 7-methyl-3-[[(3R)-1-phenethylpiperidin-1-ium-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 7-methyl-3-[[(3R)-1-phenethylpiperidin-1-ium-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=C1N=CN(C2=O)CC3CCC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CSC2=C1N=CN(C2=O)C[C@H]3CCC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H25N3OS/c1-16-14-26-20-19(16)22-15-24(21(20)25)13-18-8-5-10-23(12-18)11-9-17-6-3-2-4-7-17/h2-4,6-7,14-15,18H,5,8-13H2,1H3/p+1/t18-/m0/s1