6-piperidin-1-ium-4-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-pyrimidin-4-one

Systemtic Name: 6-piperidin-1-ium-4-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-pyrimidin-4-one Openeye Name: 6-piperidin-1-ium-4-yl-2-(4,5,6,7-tetrahydrobenzothiophen-3-yl)-1H-pyrimidin-4-one CAS Name: 6-(4-piperidin-1-iumyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-pyrimidin-4-one IUPAC Name: 6-piperidin-1-ium-4-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-pyrimidin-4-one Traditional Name: 6-piperidin-1-ium-4-yl-2-(4,5,6,7-tetrahydrobenzothiophen-3-yl)-1H-pyrimidin-4-one Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C3=NC(=O)C=C(N3)C4CC[NH2+]CC4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C3=NC(=O)C=C(N3)C4CC[NH2+]CC4

InChI

InChI=1S/C17H21N3OS/c21-16-9-14(11-5-7-18-8-6-11)19-17(20-16)13-10-22-15-4-2-1-3-12(13)15/h9-11,18H,1-8H2,(H,19,20,21)/p+1