2-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H31N4O2S+ MolecularWeight: 451.60424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C25H30N4O2S/c30-23-20-16-21(18-8-4-3-5-9-18)32-24(20)27-22(26-23)17-28-14-10-19(11-15-28)25(31)29-12-6-1-2-7-13-29/h3-5,8-9,16,19H,1-2,6-7,10-15,17H2,(H,26,27,30)/p+1