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

Systemtic Name: 7-methyl-3-[2-[(3R)-3-phenylpiperidin-1-ium-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 7-methyl-3-[2-[(3R)-3-phenylpiperidin-1-ium-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 7-methyl-3-[2-[(3R)-3-phenyl-1-piperidin-1-iumyl]ethyl]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 7-methyl-3-[2-[(3R)-3-phenylpiperidin-1-ium-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 7-methyl-3-[2-[(3R)-3-phenylpiperidin-1-ium-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=C1N=CN(C2=O)CC[NH+]3CCCC(C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3OS/c1-15-13-25-19-18(15)21-14-23(20(19)24)11-10-22-9-5-8-17(12-22)16-6-3-2-4-7-16/h2-4,6-7,13-14,17H,5,8-12H2,1H3/p+1/t17-/m0/s1