[5,6-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-azanium

Systemtic Name: [5,6-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-azanium Openeye Name: [5,6-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-ammonium CAS Name: [5,6-dimethyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-thieno[2,3-d]pyrimidinyl]methyl-diethylammonium IUPAC Name: [5,6-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium Traditional Name: [5,6-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazino)thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-ammonium Formula: C22H32N6S+2 MolecularWeight: 412.59468

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=NC(=C2C(=C(SC2=N1)C)C)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC[NH+](CC)CC1=NC(=C2C(=C(SC2=N1)C)C)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H30N6S/c1-5-26(6-2)15-18-24-21(20-16(3)17(4)29-22(20)25-18)28-13-11-27(12-14-28)19-9-7-8-10-23-19/h7-10H,5-6,11-15H2,1-4H3/p+2