dimethyl-[3-[[(6R)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(6R)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]propyl]azanium Openeye Name: 3-[[(6R)-6-(1,1-dimethylpropyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[(6R)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(6R)-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]propyl]azanium Traditional Name: 3-[[(6R)-6-tert-amyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium Formula: C20H33N4S+ MolecularWeight: 361.56782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)C3=C(N=CN=C3S2)NCCC[NH+](C)C

Isomeric SMILES

CCC(C)(C)[C@@H]1CCC2=C(C1)C3=C(N=CN=C3S2)NCCC[NH+](C)C

InChI

InChI=1S/C20H32N4S/c1-6-20(2,3)14-8-9-16-15(12-14)17-18(21-10-7-11-24(4)5)22-13-23-19(17)25-16/h13-14H,6-12H2,1-5H3,(H,21,22,23)/p+1/t14-/m1/s1