2-[[4-(3-methylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-(3-methylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-[(3-methyl-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-(3-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C19H22N4O2S+2 MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

CC1=C(SC=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C19H20N4O2S/c1-14-5-11-26-18(14)19(25)22-9-7-21(8-10-22)13-15-12-17(24)23-6-3-2-4-16(23)20-15/h2-6,11-12H,7-10,13H2,1H3/p+2