2-(cyclopentylsulfanylmethyl)-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-(cyclopentylsulfanylmethyl)-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(cyclopentylsulfanylmethyl)-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[(cyclopentylthio)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-(cyclopentylsulfanylmethyl)-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(cyclopentylthio)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C15H19N2OS+ MolecularWeight: 275.38916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3CCCC3

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3CCCC3

InChI

InChI=1S/C15H18N2OS/c1-11-6-7-14-16-12(8-15(18)17(14)9-11)10-19-13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3/p+1