9-methyl-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 9-methyl-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 9-methyl-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 9-methyl-2-[[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 9-methyl-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 9-methyl-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H21N3OS+2 MolecularWeight: 327.44384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)C[NH+]3CCC[C@H]3C4=CC=CS4

InChI

InChI=1S/C18H19N3OS/c1-13-5-2-9-21-17(22)11-14(19-18(13)21)12-20-8-3-6-15(20)16-7-4-10-23-16/h2,4-5,7,9-11,15H,3,6,8,12H2,1H3/p+2/t15-/m0/s1