2-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-9-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C19H23ClN4OS+2 MolecularWeight: 390.93012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)C[NH+]3CC[NH+](CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)C[NH+]3CC[NH+](CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C19H21ClN4OS/c1-14-3-2-6-24-18(25)11-15(21-19(14)24)12-22-7-9-23(10-8-22)13-16-4-5-17(20)26-16/h2-6,11H,7-10,12-13H2,1H3/p+2