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

Systemtic Name: 6-methyl-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 6-methyl-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 6-methyl-2-[[(2S)-2-thiophen-2-yl-1-pyrrolidinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 6-methyl-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 6-methyl-2-[[(2S)-2-(2-thienyl)pyrrolidino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CN3CCCC3C4=CC=CS4

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CN3CCC[C@H]3C4=CC=CS4

InChI

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