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

Systemtic Name: (2,5-dimethyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidin-6-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [2,5-dimethyl-4-(1-piperidyl)thieno[2,3-d]pyrimidin-6-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [2,5-dimethyl-4-(1-piperidinyl)-6-thieno[2,3-d]pyrimidinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (2,5-dimethyl-4-piperidino-thieno[2,3-d]pyrimidin-6-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C23H29N6OS+ MolecularWeight: 437.58096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCCCC3)C)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCCCC3)C)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H28N6OS/c1-16-19-21(28-10-6-3-7-11-28)25-17(2)26-22(19)31-20(16)23(30)29-14-12-27(13-15-29)18-8-4-5-9-24-18/h4-5,8-9H,3,6-7,10-15H2,1-2H3/p+1